Chemical bonding in complexes with high coordination numbers: a charge density study

被引：14
作者：
Borissova, Alexandra O. [1 ]
Lyssenko, Konstantin A. [1 ]
机构：
[1] Russian Acad Sci, Xray Struct Ctr, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia
来源：
MENDELEEV COMMUNICATIONS | 2011年 / 21卷 / 03期
基金：
俄罗斯基础研究基金会;
关键词：
TOPOLOGICAL ANALYSIS; HYDROGEN-BOND; ELECTRON; ENERGY; CRYSTAL; GEOMETRY; CLUSTERS; ALKANES; QTAIM;
D O I：
10.1016/j.mencom.2011.04.017
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The topological analysis of an experimental charge-density distribution in crystalline tris(pyridine)bis(o-hydroxybenzoato)cadmium(II) revealed that the metal-ligand bonds occupy nearly the same place in the energetic scale as the hydrogen bonds do, thus being extremely sensitive to steric and crystal-packing effects.
引用
收藏
页码：160 / 162
页数：3
相关论文
共 40 条
[11]   The use of synchrotron radiation in X-ray charge density analysis of coordination complexes [J].
Coppens, P ;
Iversen, B ;
Larsen, FK .
COORDINATION CHEMISTRY REVIEWS, 2005, 249 (1-2) :179-195
[12]   Complementarity of QTAIM and MO theory in the study of bonding in donor-acceptor complexes [J].
Corts-Guzmán, F ;
Bader, RFW .
COORDINATION CHEMISTRY REVIEWS, 2005, 249 (5-6) :633-662
[13]   About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions [J].
Espinosa, E ;
Alkorta, I ;
Rozas, I ;
Elguero, J ;
Molins, E .
CHEMICAL PHYSICS LETTERS, 2001, 336 (5-6) :457-461
[14]   Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities [J].
Espinosa, E ;
Molins, E ;
Lecomte, C .
CHEMICAL PHYSICS LETTERS, 1998, 285 (3-4) :170-173
[15]   The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2 [J].
Farrugia, Louis J. ;
Evans, Cameron ;
Lentz, Dieter ;
Roemert, Max .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (03) :1251-1268
[16]   Carboranes: chemical concepts derived from the AIM study of the experimental and theoretical electron density distribution functions [J].
Glukhov, I. V. ;
Lyssenko, K. A. ;
Korlyukov, A. A. ;
Antipin, M. Yu. .
FARADAY DISCUSSIONS, 2007, 135 :203-215
[17]   ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .6. TESTING ASPHERICAL ATOM REFINEMENTS ON SMALL-MOLECULE DATA SETS [J].
HANSEN, NK ;
COPPENS, P .
ACTA CRYSTALLOGRAPHICA SECTION A, 1978, 34 (NOV) :909-921
[18]   CAN X-RAY DATA DISTINGUISH BONDING EFFECTS FROM VIBRATIONAL SMEARING [J].
HIRSHFELD, FL .
ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (MAR1) :239-244
[19]   Accurate charge densities in days - use of synchrotrons, image plates and very low temperatures [J].
Iversen, BB ;
Larsen, FK ;
Pinkerton, AA ;
Martin, A ;
Darovsky, A ;
Reynolds, PA .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1999, 55 :363-374
[20]  
KIRZHNITS DA, 1957, SOV PHYS JETP-USSR, V5, P64
1234