Charge densities come of age

被引:99
作者
Coppens, P [1 ]
机构
[1] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA
关键词
charge-density analysis; chemical bonding; electron density; X-ray diffraction;
D O I
10.1002/anie.200501734
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(Figure Presented) To be or not to be (a bond, that is)? Recent progress in X-ray charge-density analysis is discussed with emphasis on the characterization of unusual bonding situations, such as the recently reported C-C bonding" interaction in a [1.1.1]propellane (see structure). © 2005 Wiley-VCH Verlag GmbH & Co. KGaA."
引用
收藏
页码:6810 / 6811
页数:2
相关论文
共 26 条
[1]  
Bader R. F. W., 1990, ATOMS MOL QUANTUM TH, V22
[2]   SPATIAL LOCALIZATION OF ELECTRONIC PAIR AND NUMBER DISTRIBUTIONS IN MOLECULES [J].
BADER, RFW ;
STEPHENS, ME .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (26) :7391-7399
[3]   A SIMPLE MEASURE OF ELECTRON LOCALIZATION IN ATOMIC AND MOLECULAR-SYSTEMS [J].
BECKE, AD ;
EDGECOMBE, KE .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (09) :5397-5403
[4]   Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia [J].
Bytheway, I ;
Grimwood, DJ ;
Figgis, BN ;
Chandler, GS ;
Jayatilaka, D .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 :244-251
[5]  
COPPENS P, 1991, NATO ADV SCI I B-PHY, V250, P7
[6]  
Coppens P., 1997, XRAY CHARGE DENSITIE
[7]   CHEMICAL-BONDS WITHOUT BONDING ELECTRON-DENSITY - DOES THE DIFFERENCE ELECTRON-DENSITY ANALYSIS SUFFICE FOR A DESCRIPTION OF THE CHEMICAL-BOND [J].
CREMER, D ;
KRAKA, E .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1984, 23 (08) :627-628
[8]  
Debye P, 1915, ANN PHYS-BERLIN, V46, P809
[9]   BOND LENGTHS, AND BEYOND [J].
DESTRO, R ;
MERATI, F .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1995, 51 :559-570
[10]   The nature of the bonding in transition-metal compounds [J].
Frenking, G ;
Fröhlich, N .
CHEMICAL REVIEWS, 2000, 100 (02) :717-774