Theoretical chemistry of gold

被引:1582
作者
Pyykkö, P [1 ]
机构
[1] Univ Erlangen Nurnberg, Lehrstuhl Theoret Chem, D-91058 Erlangen, Germany
关键词
aurophilicity; closed-shell interactions; gold; relativistic effects; theoretical chemistry;
D O I
10.1002/anie.200300624
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Gold is an element whose unique properties are strongly influenced by relativistic effects. A large body of appropriate calculations now exist and their main conclusions are summarized. The theoretical interpretation of the aurophilic attraction is discussed in detail.
引用
收藏
页码:4412 / 4456
页数:45
相关论文
共 842 条
[71]   Strong chemical bonds to gold.: High level correlated relativistic results for diatomic AuBe+, AuC+, AgMg+, and AuSi+ [J].
Barysz, M ;
Pyykko, P .
CHEMICAL PHYSICS LETTERS, 1998, 285 (5-6) :398-403
[72]   Molecular properties of boron-coinage metal dimers: BCu, BAg, BAu [J].
Barysz, M ;
Urban, M .
ADVANCES IN QUANTUM CHEMISTRY, VOL. 28: RECENT ADVANCES IN COMPUTATIONAL CHEMISTRY, 1997, 28 :257-272
[73]  
Basch H., 1980, Faraday Symposia of the Chemical Society, P149, DOI 10.1039/fs9801400149
[74]   Reduced basis set for the gold atom in cluster complexes [J].
Basch, H ;
Ratner, MA .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (07) :899-906
[75]   Molecular binding at gold transport interfaces. IV. Thiol chemisorption [J].
Basch, H ;
Ratner, MA .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (12) :5771-5780
[76]   Molecular binding at gold transport interfaces. III. Field dependence of electronic properties [J].
Basch, H ;
Ratner, MA .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (12) :5761-5770
[77]  
BASCH H, 1991, J MOL STRUC-THEOCHEM, V80, P185, DOI 10.1016/0166-1280(91)89012-P
[78]   Binding at molecule/gold transport interfaces. I. Geometry and bonding [J].
Basch, H ;
Ratner, MA .
JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (22) :11926-11942
[79]   RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH [J].
BASCH, H ;
TOPIOL, S .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02) :802-814
[80]  
BASCH H, 2003, J CHEM PHYS, V119