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By V. W. Shtenko, B. J. Ennis, P. H. Bridge

"The northeastern region of British Columbia contains large quantities of high-quality metallurgical coal. To market the coal, it was necessary to provide the required infrastructure which included rail access. This paper presents the role of the British Columbia Railway in the northeast coal development.In 1976, B.C. Railway undertook to study two main routes, one originating at Chetwynd and the other at Anzac, both located on the main line, north of Prince George. The routes studied are briefly described, detailing the methodology and engineering analysis carried out to permit the selection of a single route that would be the most cost effective, taking into consideration the construction, maintenance and operating costs. The operating parameters, track and grade standards, anticipated tonnage, construction costs and the final route selected are also presented.Pre-engineering analysis and studies of the route selected originating at Anzac, known as Tumbler Ridge Branch Line, and which commenced in 1977, were concluded in 1978. New mapping was developed to a scale of 1:2000 with good vertical and horizontal control. Based on the mapping data, terrain analysis, and designs developed, an estimate of construction costs and schedule of work was developed.Authority to proceed with the final design and construction was provided in December 1980, with the first shipment scheduled for December I, 1983. Final designs of all structures are discussed, including schedules, cost to completion, and control systems utilized. The decision to electrify the Tumbler Ridge Branch Line and related topics are discussed, with a brief description of train operations. The present status of the project is also presented."

Jan 1, 1983

By Richard Simon

This paper presents an ongoing study on the use of borehole breakouts to estimate in situ stresses at depth in a Canadian underground mine. Breakouts were identified using an acoustic televiewer (ATV) probe. Rock samples were tested in a laboratory to determine their failure curve. Breakout analyses were performed using a 2D failure criterion and a multiaxial failure criterion. Analyses were carried out using both short-term (peak) and long-term strengths (the latter considered here as being represented by the damage initiation threshold DIT). The analyses have shown that the use of the longterm strength and a multiaxial failure criterion leads to results that are more consistent with stress measurements performed in the field, in the vicinity of the mine.

Jun 1, 2012

The most expensive unit operation in the beneficiation of ores is grinding. The correct design of the grinding circuit is crucial to prevent unnecessary use of energy. Proper design and evaluation of SAG grinding circuits require the specific grinding energy, which is determined experimentally. The most common tests in SAG grinding are the Drop Weight Test, from the Julius Kruttschnitt Mineral Research Center (JKMRC) in Australia, and the SAG Power Index, from MinnovEX Technologies in Canada. The application of these tests to the same ore sample commonly produces different results. The work reported here aims at comparing the application of these two tests in the determination of the specific grinding energy for sulfide copper ores from Sequeirinho and Sossego deposits, Sossego Project, Companhia Vale do Rio Doce - CVRD, in Para state, Brazil.

Jan 1, 2007

By C. A. D' Odorico

The zinc pressure leaching (ZPL) plant at Teck Cominco's Trail Operations was started up in 1981 and represented the world's first commercialization of the technology. From the outset, the process was designed to operate using iron-rich Sullivan Mine zinc concentrate. When the Sullivan Mine reached the end of its life in 2002, the ZPL plant underwent a significant process change with the treatment of 100% Red Dog zinc concentrate. Through careful improvements to existing plant processes, controlled changes to plant operating parameters and a rapid adjustment to the modified process by operations personnel, the plant has been successfully converted to processing a feed of 100% Red Dog zinc concentrate. This paper discusses the challenges faced during the conversion and describes the modifications to plant operating procedures, as well as changes to plant processes.

Jan 1, 2004

By S. Abu-Samra

By virtue of its complex nature, the construction industry comprises a wide spectrum of interrelated variables and factors. This multifaceted character of the construction industry puts the use of engineering modeling tools and techniques on top of project management necessities. This research introduces a macro-level earthmoving management system using Genetic Algorithms (GAs) to reach the optimum allocation of earthmoving equipment. The Earthmoving Equipment Management System (EEMS) functions through four integrated modules: (1) A Central Database containing information about projects and available equipment; (2) An Equipment per Segment Selection module that calculates the cut and fill quantities, plots the Mass Haul Diagrams, and selects the equipment types to be used for each segment; (3) An Equipment Pool module which determines the production and cost for each available equipment, based upon the project site conditions; and (4) An Optimization Engine equipped with a GA optimization solver. This engine formulates the optimum earthmoving cost for all projects, by changing the number of allocated equipment. The Optimization Engine takes into account the number of available equipment and calculates the weekly equipment allocation. The EEMS model was implemented on an earthmoving company conducting five different projects on hand. The model proved to be an effective tool in providing decision makers with optimum equipment utilization on a multi-project scale to minimize the earthmoving cost. The results were then compared with the company?s existing micro-level management system, demonstrating better performance on the level of savings, amounting to 13% of total earthmoving cost.

Aug 1, 2013

By R. P. Viljoen, A. D. Scheglov, A. L. Sokolov

"Abstract -The distribution of mineralized provinces is analyzed on the basis of their genetic link with specific blocks of the earth's crust including ancient platforms, mobile belts and zones of tectonic­ magmatic activation. Mobile and fold belts surround the Siberian platform in Russia and the Kaapvaal craton in South Africa, with decreasing age zoning away from ancient platform margins. The main differences in the geological development of the two cratonic areas are: (1) the long period before the final stabilization of the Siberian platform (3600 Ma to 1600 Ma) and the comparatively short period of time for the stabilization of the Kaapvaal craton (3600 Ma to 3050 Ma) and (2) the intensive multiple activation of the marginal zones of the Siberian platform and the tectonically­ controlled, magmatic sedimentary, intracratonic activity, typical of the Kaapvaal craton. Mineralization of the Siberian platform is largely characterized by marginal reactivation zones of differing ages although mineralized intracratonic Cu-bearing basins of Proterozoic age are also known. Mineralization of the Kaapvaal craton is mainly related to the formation of the intracratonic basins i.e., Witwatersrand (Au, U) and Transvaal (Au). The latter is characterized by multi-age volcanic-intrusive activity including the emplacement of Bushveld Complex (Cu, Ni, Pt, Cr, Au, V). The Siberian platform is characterized by the prolonged development of inherited mineralization from Archean until the late Mesozoic. The main period of mineralization in the Kaapvaal craton is restricted to the middle Proterozoic.The Baykal-Patomskaya and Namaqua-Natal mobile zones occupy similar positions adjacent to the Siberian and Kaapvaal cratons, respectively, and demonstrate similar modes of metallogenic development: i.e., the early formation of exhalative Pb-Zn-Cu deposits during the early stage and magmatic Cu deposits during the late stage. The more remote mobile belt near the Siberian plat­ form, the Trans-Baykal, is characterized by intensive multi-age mineralization (Wo, Mo, Sn, fluorite), related to a period of tectonic-magmatic activation. The Saldania Belt occupies a similar position near the Kaapvaal craton but is known for its poor Au, and Cu rnineralization. lt does, however, have some similarities with Trans-Baykal Belt in regard to Mo-W bearing granitoids.The phenomenon of interference of geosynclinal, orogenic, platform, and tectono-magmatic activation regimes is known for the Russian section of the Pacific Ocean Volcanic Belt."

Jan 1, 1994

By V. Labiouse, M. Souley, N. Lafrance, C. Auvray

"Chalk rocks have been used for centuries as a strong building material and for the production of lime. The shallow underground room-and-pillar quarries where the chalk was extracted are now abandoned and endure the effects of time and weathering, increasing their risk of collapse. The risk of instability, involving natural or anthropic underground structures, is an issue for more than 10 000 towns in France.In order to investigate the causes of underground quarry collapse and to aid prevention strategies, we carried out a study of the physico-mechanical behaviour and ageing of chalk in abandoned pillars in two underground quarries, in situ-instrumented by INERIS, in the Parisian Basin, France. Core samples were drilled horizontally from pillars in the Saint-Martin-Le-Noeud dolomitic chalk quarry (Oise, France) and the Estreux glauconitic chalk quarry (Nord, France).Uniaxial tests were performed on dry and saturated cylindrical plug samples extracted perpendicular to the cores at regular distances along their lengths. Physical and mechanical properties were obtained. The dolomitic chalk (Saint-Martin-Le-Noeud) exhibits variation in mechanical and physical properties with horizontal pillar depth. Both density and compressive strength seem to increase outwards from the pillar-core to the pillar-wall. This is the opposite of that would be expected from a purely mechanical point of view. SEM analysis revealed progressive degradation and homogeneity of the grains from the edge to the inside of the pillar. At the pillar wall, the crystal faces are well-defined, almost euhedral, and the grains are of variable size. In contrast, at the inside of the pillar, crystals are finer-grained and are anhedral with highly degraded edges. In the physico-mechanical tests and SEM analyses performed on the Estreux samples, no significant variation was observed between the pillar-walls and pillar-core. However, dissolution marks were observed along the entire length of the half-pillar core."

Jan 1, 2015

"Decreasing gold-in-ore grades is one of the main drivers of poorer productivity and rapidly escalating unit costs. Grinding costs, water use and reagent consumption are all intimately related to the ore grade processed. Various pre-concentration technologies have been developed that can be applied at various stages of crushing prior to ore grinding. This paper will review the amenability of ores to coarse particle barren gangue rejection for fine crush sizes in the pumpable particle size range (i.e., particles between 5 mm and 0.3 mm in size). The liberation of oxide gangue achieved during crushing is evaluated by proxy using sink-float analysis and the deportments of gold, sulfur, and arsenic into sinks and floats are monitored. Amenability of gangue rejection by continuous gravity separation is evaluated after various crushing modes (vertical shaft impact crushing, cone crushing, and HPGR crushing). The potential to identify coarse particle mineral association and liberation using three-dimensional x-ray computed tomography will be discussed.INTRODUCTIONThe aim of research in this area is to explore some of the attributes which make some ores amenable to preconcentration, or rejection of a significant component of the feed mass to tailings at a coarse liberation size. Characteristics such as ore type, mineralogy, breakage pattern, particle shape, and liberation characteristics may need to be examined to identify amenability to pre-concentration amenability.It is intended to focus on continuous gangue rejection in the pumpable size range (0.3–5.0 mm) as this remains one of the key opportunities to reduce processing costs through a combination of techniques including screening (for mineral differentiation rather than size classification only) and gravity separation (using jigs). This is to be contrasted to conventional preconcentration as performed with automatic ore sorters."

Jan 1, 2016

By Xiaoguang Zhao

The coal mining area in Northern Shaanxi, China, has been taken as the study area, and the damage mechanism of the ecological environment is discussed on the basis of analyzing the characteristics of natural eco-environment and resource development in this area. Mining subsidence is taken as an example, and by using the Gray Correlation Analysis method, the key impact factors have been selected. An assessment model with fuzzy comprehensive evaluation has been constructed, and 12 coal mines have been quantitatively assessed. This paper also constructs an ecosystem health assessment method and index system in the coal mine area on the basis of ecosystem health theory, and assesses the ecosystem health status in the Shenfu coal mining area from 2000?2006. The research results are expected to help the eco-environment protection process in the designated coal mining area.

Aug 1, 2013

By Juan Asalgado

The JORC and NI43-101 codes impose that mineralized material has a reasonable prospect of economical extraction to be classified as Mineral Resource. For deposits close to surface and amenable to open pit mining, it is easy to show reasonable prospect of economic extraction running a Lerch-Grossman optimization. The Lerch-Grossman pit provides a transparent and repeatable way of separating the Mineral Resource (within the pit) from the remainder of the mineral inventory (outside the pit). Deposits amenable to underground mining are more challenging because of the variety of the underground methods. AMEC developed a stand-alone software package that outlines the material which has reasonable prospect of economic extraction for open stoping, block caving, sublevel caving and room and pillar. The software takes a block model file in ASCII and exports a 3D surface outlining the part of the mineralization that has a reasonable prospect of economic extraction, and which the Qualified Person can smooth out manually if required.

Oct 1, 2009

By Lawrence D. Hoy, Armand Savoie, Pierre Trudel, Ghislaln Tourigny, Robert Crépeau, Lao Kheang

"Recent fluid inclusion and stable isotopic studies in the Bousquet mining district have identified spatial and temporal trends in mineralization temperatures and isotopic compositions of vein forming fluids. These studies indicate that mineralizing temperatures were lower during sterile vein formation (T=200-300°C) than during auriferous vein formation (T = 300-400°C), and that 8 80 values of minerals in sterile veins are lower by 1-3 %o than in associated auriferous veins. In addition to these small differences in 8 80 within individual mineralized zones, a trend of increasing 8 80 values of vein minerals is identified from west to east across the district, with 8 80 of vein minerals increasing by4-6%o. Quantitative evaluation of potential causes of the observed oxygen isotopic shifts suggests that the best explanation for these trends is the derivation of the mineralizing fluids from an isotopically inhomogeneous terrain in which the fluid isotopic compositions are controlled by the isotopic compositions of the host lithologies due to high rock/water ratios in these source terrains. This inhomogeneous source terrain is interpreted as consisting of the Blake River Group volcanics (low 8 80 component) and the adjoining Kewagama and Cadillac Group sediments (high 8 80 component).The genesis of the hydrothermal fluids is attributed to crustal heating during metamorphism, with the fluids representing metamorphic dewatering products and/or fluids incorporated during deposition and burial of the host lithologies. Ductile deformation of the fluid source regions impeded fluid migration during metamorphism; the ultimate release of the mineralizing fluids is attributed to the penetration to depth of vertical structures (fault and shear zones) during brittle deformation of the crust under waning metamorphic conditions. Release of fluids caused by this puncturing of the closed hydrologic source regime produced a localized zone of lowered pressure, drawing fluids from adjacent lithologies toward the fault zones, feeding further hydrothermal fluid upwelling. Au mineralization resulted from chemical processes related to cooling of the hydrothermal fluids and/or interaction with lithologies encountered during fluid migration; the level of crust at which Au deposition occurred likely migrated upward with the thermal anomaly caused by hydrothermal fluid upwelling, eventually reaching the level of current exploitation. Cessation of fluid flow along the vertical structures is attributed to inadequate recharge of the hydrothermal systems as fluid contents were depleted in the lithologies proximal to the vertical structures and/or sealing of the structures by mineral deposition."

Jan 1, 1990

By Norman R. Ball

"Many people in the mining and metallurgical industries were brought up to embrace Henry Ford's pronouncement that ""History is bunk"" but it is not generally known that the same Henry Ford created and paid for one of the finest technological museums in the Western World. I am aware that many people feel that industry history is something you ask aging executives to do or that history is a clip-andpaste compendium of pictures re-discovered every 25 years or on the occasion of issuing a press release on plant expansion. Moreover, there are many who fear historians as somewhat deranged individuals interested only in corruption, injustice and sensational labour strife. Good history lies somewhere between the controlled P.R. handout and the hysterical attack. Writing good history is a difficult creative act based on the application of experience, insight, wide knowledge and careful reasoning to available evidence. To date, the Canadian mining and metallurgical industries have achieved a great deal but left too little evidence and it is this lack of evidence which must be corrected before it is too late. It is the purpose of this article to stimulate thoughts with regard to archives, one of the more important vehicles for the preservation of such evidence."

Jan 1, 1999

By C. D. M. Chisholm

IN discussing stope filling, or backfilling, at the Sullivan mine, at Kimberley, B.C., a brief description of the problem will first be presented. The Sullivan orebody is a replacement in quartzite, with the ore con-forming, for the most part, with the bedding. The dip of the vein, apart from local irregularities, averages about 15 degrees near the outcrop in the southwest section of the mine, and steepens to almost 40 degrees at the northeast end of the mine. The thickness varies from a few feet to over 200 feet at the widest sections. The mineable length along the strike has averaged about 4,000 feet between the 4,600 and 3,900 levels-the section under discussion in this paper. To date, 28,000,000 tons of ore have been mined by the room-and-pillar method. Prior to 1930, all ground opened up had been supported by ore pillars, left during mining operations. From that time, the recovery of the ore from these pillars has been given serious consideration. Backfilling, as being carried on today, is the result of this study and is being done for two reasons: (1) to allow extraction of the ore pillars, and (2) to minimize subsidence of the hanging-wall rock, except where forced caving is found desirable. PRELIMINARY DEVELOPMENTS LEADING TO BACKFILLING When the Sullivan orebody was first opened up, early in the century, there appeared to be low-grade sections of the vein sufficient in extent to serve as permanent support for the roof. However, as mining extended into sections of the vein that showed continuous ore over greater areas, wooden cribs, filled with waste and low-grade ore, were erected. In some stopes, these cribs were as large as 40 ft. by 100 ft. in plan and from 50 ft. to 60 ft. in height, but it was soon realized that this method of support was inadequate. As mining progressed, it was found necessary to leave ore pillars, which eventually became the sole system of support. At first, these pillars were left at irregular intervals, but later they were laid out at definite locations on the mine plans, and these locations were adhered to as closely as mining would permit.

Jan 1, 1941

By Alexander Smith

"The Silver Standard mine is 6 miles by road northwest of New Hazelton, B.C., a small town on the northern line of the Canadian National Railways some l 75 miles northeast of Prince Rupert. The deposits lie on the western slope of Glen Mountain (elevation 2,100 feet), with the main adit, mill, and campsite at 1,300 feet. The deposits were found in 1910, shortly after the area had been swept by forest fire and during a period of prospecting activity spurred by the construction of the railway. Crude ore only was shipped until 1918, when a 50-ton gravity mill was built which operated until 1922. Gross value of production of this period, at present metal prices, was about $1,000,000.In 1947 the present company was formed and a 50-ton flotation mill installed. Production from 1948 to 1955 has been in excess of $10,000,000, and net smelter returns about two-thirds of this amount. More than 60 per cent of the production and 80 per cent of the profit have come from one vein, No. 6. On the 1,300-foot level this vein had an ore section 375 feet long and 2.5 feet wide, averaging 0.18 ounces gold, 85 ounces silver, 10 per cent lead, and 16 per cent zinc.The mine workings follow a simple pattern. A series of parallel veins, striking northeast and dipping southeast, are numbered from 0 to 12, starting at the northwest. They lie within a zone trending south 70 degrees east, and the distance between Nos. 0 and 12 veins is about one mile. Recently several cross-veins, dipping northeast, have been found between Nos. 8 and 12. They are apparently of the same type as the others, though they may not have the same structural controls. They could be an important new source of ore.The mine has been developed principally by crosscut adits at the 1,500- and 1,300-foot levels and a 510-foot shaft with levels at I, 150, 1,000, ·and 850 feet. Drifts and crosscuts total 17,000 feet, chiefly on Nos. I, 4, 6, 7, and 8 veins. The drifts are stoped by shrinkage, top shrinkage rill, cut-and-fill with resuing, or open stope methods. The mill produces a lead-silver-gold-copper concentrate and a zinc concentrate, with indicated recovery of more than 96 per cent (4)."

Jan 1, 1949

By D. F. Malan

"This document highlights some of the topical problems associated with the design and support of deep tabular excavations in hard rock. The displacement discontinuity boundary element method has been used for at least five decades to analyse stress and displacement distributions around narrow width excavations with complex plan outlines. The assumption is made in most cases that the rock mass surrounding the excavation is perfectly elastic. Although this approach works well to minimise stress concentrations in practice, it has limitations as important parameters, such as the effect of mining rate, cannot be investigated. Recently, a limit equilibrium model has been studied as a means to enhance standard layout design exercises by including an interactive on-reef damage model. This approach can include explicit energy release dissipation computations. A second problem faced by engineers in the mining industry is the evaluation of pillar and remnant stress. The paper highlights two aspects namely the effect of element size in displacement discontinuity modeling on pillar stress and the difficulty to estimate the effect of total closure on the regeneration of stress in old mining areas. Regarding the support of the tabular excavations, current efforts are focussed on providing improved aerial coverage using hangingwall bolting and temporary nets. An unresolved issue is the installation of permanent mesh in low stoping width areas. INTRODUCTIONSince 1886, more than 50 000 tons of gold has been mined in the Witwatersrand Basin of South Africa (Hartnady, 2009). The nearby platinum mines also saw significant growth in recent years and more than 80% of the world’s platinum group metal reserves are contained in the Bushveld Complex of South Africa (Nell, 2004). Apart from the economic aspects, the mines served as an outstanding rock engineering “laboratory” for many decades owing to the deep, tabular nature of the excavations. The period from 1960 to 1980 was especially lucrative in terms of research and world-renowned researchers investigated the support and rockburst problems (e.g. see Cook et al., 1966; Salamon, 1968; Bienawski, 1973; Wagner, 1984). Many of the rock-related problems nevertheless persist up to the present day and this paper explores some of these problems and recent progress. The production of gold declined substantially in recent years (Hartnady, 2009) and well-directed rock engineering research can play a meaningful role to slow this trend. The objective of the document is to highlight critical areas requiring additional research and not to discuss the topics in detail. The reader is referred to the many references for additional information. The paper only focuses on three areas namely numerical modelling, pillar stress estimation and aerial support. Although these are diverse topics, it is included in one paper to illustrate the many unsolved and practical problems associated with deep tabular excavations."

Jan 1, 2015

By A. A. Ruitenberg, S. C. Johnson, L. R. Fyffe

"Several types of stratiform and epigenetic gold deposits have been found in New Brunswick, It is the purpose of this paper to describe and classify the epigenetic deposits and demonstrate their relationship to tectonic evolution. The stratiform deposits are mostly volcanogenic massive sulphide deposits that are described elsewhere (Davies et al., 1985).The auriferous epigenetic deposits include quartz-carbonate veins and stockworks, polymetallic veins, contact metasomatic, porphyry copper and volcanic breccia (epithermal) deposits. These epigenetic deposits are concentrated in major fault zones that define or are close to the boundaries of tectonostratigraphic terranes or terranes and cover sequences. The host rocks of the deposits were subjected to extensive crustal thickening resulting from thrusting and/or high angle reverse faulting.The gold deposits north of the Avalon Terrane occur indilatent structures related to mainly dextral wrench faulting that postdated the episode of crustal thickening. The deposits along the southern margin of the Avalon Terrane occur in structures related to late phase thrusting."

Jan 1, 1990

By W. Beres, M. Bielawski

Recent research on the development of erosion resistant coatings has been directed to the finite element modelling of the behavior of coating and substrate, and their interface under the impact of eroding particles. The approach presented in this paper is based on advanced computer simulation techniques using ABAQUS/Explicit to investigate stress and strain at the surface and at the coating/substrate interface of multilayer coatings under single particle impact. It was found previously that solid particle erosion mechanisms are predominantly governed by the kinetic energy of the impacting particles. However, recent modelling efforts revealed that effects of various material models could be also significant. Therefore, different material models representing relevant coating and substrate properties were investigated and the effects of these models on the coating/substrate response were studied. Particularly, differences between elastic, elastic-plastic and brittle cracking model responses were assessed.

Jan 1, 2006

By Reinis Sipols

AGENDA ? Introduction ? Definitions and Key features ? PEA - Preliminary Economic Assessments ? PFS ? Preliminary Fesibility Studies ? FS ? Feasibility Studies ? Costs and Risks ? Cash Flow, Economic Analysis and Reporting ? Recommendations for Improved FS accuracy INTRODUCTION ? The reporting of material information on mineral deposits has been governed by NI 43-101 legislation for almost a decade. ? The investment sector depends on the independent, professional QP to provide objective observations, comments and recommendations through all levels of geological, engineering and financial evaluation until a mine construction decision has been made.

May 1, 2013

By József L. Margitfalvi

Different Au/MgO catalysts modified with Mn, and Fe were prepared by precipitation-deposition. The catalysts were characterized by XRD, FTIR, Temperature Programmed Reduction (TPR) and CO chemisorption and were tested in CO oxidation in the temperature range of 243-523 K. The catalytic tests using both Temperature Programmed Oxidation (TPO) technique and time on stream (TOS) experiments revealed the high activity of catalysts prepared. In TPO experiments the modification by Mn significantly increased the activity above 300 K, however in the subambient temperature range the activity decreased considerably. Catalysts modified by iron did not show any decrease in the activity below 300 K, while the activity at high temperature increased significantly. Catalysts modified by Mn, Fe showed higher activity, selectivity and stability in preferential CO oxidation, carried out in the presence of hydrogen than the unmodified Au/MgO catalysts. Results of in situ FTIR spectroscopy on both the base Au/MgO and the iron modified catalyst unambiguously revealed the formation of ionic gold in the presence of CO/O2 mixture. The formation of this species was strongly hindered in catalyst modified by manganese. Results obtained strongly support the need for the formation of "metal ion - metal nanocluster" ensemble sites. These sites are involved in the activation of the CO molecule prior to its reaction with atomic oxygen. It is suggested that at subambient temperature these ensemble sites contain mainly ionic forms of gold, while at higher temperature iron or manganese ions are involved in CO activation.

Oct 1, 2003

By Fernando Canales

In the last decade a great dealt of attention has been paid to the chemistry of polynuclear gold derivatives with a central heteroatom, not only from the experimental and structural but also from the theoretical standpoint (1). Interesting hypercoordinated species of the type [C(AuPR3)5]+, [C(AuPR3)6]2+, [N(AuPR3)5]2+, [P(AuPR3)5]2+ and [P(AuPR3)6]3+ have been described (2), apart from other complexes with more conventional stoichiometry, and all have in common the presence of gold-gold interactions of ca. 3 Å. Usually, the chemistry of the first row elements of the p-block is known to follow classical rules of bonding, and only in cases of extreme electron-deficiency has the traditional electron count to be reconsidered to account for special types of molecular or solid state structures. Many of these heteroatomcentered complexes are electron-deficient and the gold-gold interactions provide a significant contribution to their stability. The attraction between these closed-shell systems has recently captured the attention in inorganic and organometallic chemistry (1). P. Pyykkö has summarized the available theoretical and experimental evidence of intra- and inter-molecular interactions between heavy metal atoms, such as Au(I) (3). In general, when heavy metals are involved in such interaction, the closed-shell attractions are of metallophilic or van der Waals type, as has been found for d8, d10 coinage-metals, and d10s2 centers. Experimental evidence for the aurophilic Au(I)???Au(I) attraction is available from crystallography, NMR and Raman spectroscopies, and optical spectroscopic measurements of the interaction strength (4). It is manifested in molecular conformations with relatively close Au???Au interactions of ca. 3 Å, whose strength has been estimated at ca. 25-50 kJ/mol (5). These attractions are weaker than most covalent or ionic bonds, but stronger than other van der Waals bonds and comparable in strength to typical hydrogen bonds. The phenomenon cannot be satisfactorily explained by classical theories such as hybridization (3). From a theoretical point of view, the attractions close to equilibrium distances are caused by dispersive interactions together with relativistic effects (6). The attractive contributions are dominated by pair-excitations from the heavy metal, such as gold, strengthened by relativistic effects. In all the cases where there are inter- or intramolecular metal-metal attractions, the correlation effects are essential; if they are omitted, at the Hartree-Fock (HF) level, repulsive interactions are obtained (6). Hence, it is necessary to use at least second-order Møller-Plesset level (MP2) methods for the dispersive forces, which are included in the electronic correlation effects (7).

Oct 1, 2003