A theoretical study on intramolecular weak interaction of organomercury compounds

被引：2

作者：

Jiang, P ^{[1
]}

Shi, J ^{[1
]}

Sun, HW ^{[1
]}

Yuan, MX ^{[1
]}

Lai, CM ^{[1
]}

机构：

[1] Nankai Univ, Dept Chem, Tianjin 300071, Peoples R China

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2000年 / 528卷

关键词：

intramolecular interaction; organomercury; molecular mechanics; semi-empirical PM3; ab initio;

D O I：

10.1016/S0166-1280(99)00479-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Twelve organomercury compounds have been studied by means of molecular mechanics MMX force field, semi-empirical PM3 method and ab initio calculations. The distance of Hg and Cl (non-bonded with Hg) in molecules cis-ClHgCHCHCl and o-CIC6H4HgCl is shorter than the sum of van der Waals radii of Hg and Cl, indicating that there is a weak intramolecular interaction between them. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：91 / 94

页数：4

共 50 条

[1] INTERACTION OF XENON DIFLUORIDE WITH ORGANOMERCURY COMPOUNDS
BUTIN, KP
KISELEV, YM
MAGDESIEVA, TV
REUTOV, OA
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1982, 235 (02) : 127 - 133
[2] INTRAMOLECULAR COORDINATION IN BETA-FUNCTIONALLY SUBSTITUTED ORGANOMERCURY COMPOUNDS
KOLODYAZHNYI, YV
MELNIKOVA, TY
PROKOFEV, AK
OSIPOV, OA
ZHURNAL OBSHCHEI KHIMII, 1976, 46 (08): : 1825 - 1830
[3] Aspects of secondary bonding intramolecular interaction in organomercury and organochalcogen derivatives
SAGAR SHARMA
TAPASH CHAKRABORTY
KRITI SRIVASTAVA
HARKESH B SINGH
Journal of Chemical Sciences, 2011, 123 : 113 - 122
[4] Aspects of secondary bonding intramolecular interaction in organomercury and organochalcogen derivatives
Sharma, Sagar
Chakraborty, Tapash
Srivastava, Kriti
Singh, Harkesh B.
JOURNAL OF CHEMICAL SCIENCES, 2011, 123 (02) : 113 - 122
[5] STUDY OF IODODEMERCURATION OF SYMMETRICAL ORGANOMERCURY COMPOUNDS
BELETSKAYA, IP
SAVINYKH, LV
REUTOV, OA
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1971, 26 (01) : 13 - +
[6] STUDY OF ORGANOMERCURY COMPOUNDS BY HIGH-RESOLUTION NMR .8. SOLVATION OF SYMMETRICAL ORGANOMERCURY COMPOUNDS
FEDOROV, LA
JOURNAL OF STRUCTURAL CHEMISTRY, 1982, 23 (05) : 673 - 681
[7] Theoretical analysis of intramolecular interaction
Yamada, Kenta
Koga, Nobuaki
FRONTIERS OF COMPUTATIONAL SCIENCE, 2007, : 253 - +
[8] The effect of a strong cation•••π interaction on a weak selenium•••π interaction: A theoretical study
Saberinasab, Mahshid
Salehzadeh, Sadegh
Solimannejad, Mohammad
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 1092 : 41 - 46
[9] THE PYROLYSIS OF ORGANOMERCURY COMPOUNDS
CARTER, HV
CHAPPELL, EI
WARHURST, E
JOURNAL OF THE CHEMICAL SOCIETY, 1956, (JAN): : 106 - 115
[10] RADIOCHROMATOGRAPHY OF ORGANOMERCURY COMPOUNDS
REUTOV, OA
SOKOLOV, VI
DOKLADY AKADEMII NAUK SSSR, 1961, 136 (02): : 366 - &

← 1 2 3 4 5 →