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
收藏
页码：91 / 94
页数：4
相关论文
共 50 条
  • [21] REACTION OF ORGANOMERCURY COMPOUNDS WITH BROMONITRATE
    PIOTROVSKII, VK
    ROZENBER.VI
    BUNDEL, YG
    REUTOV, OA
    ZHURNAL ORGANICHESKOI KHIMII, 1974, 10 (06): : 1330 - 1330
  • [22] STUDIES ON ORGANOMERCURY COMPOUNDS SPECIATION
    CELA, R
    LORENZO, RA
    MEJUTO, MC
    BOLLAIN, MH
    CASAIS, MC
    BOTANA, A
    RUBI, E
    MEDINA, MI
    MIKROCHIMICA ACTA, 1992, 109 (1-4) : 111 - 116
  • [23] Theoretical study on the interaction of platinum compounds with DNA base pairs
    He, Q
    Zhou, LX
    ACTA PHYSICO-CHIMICA SINICA, 2005, 21 (08) : 846 - 851
  • [24] Reactions between organomercury compounds and nitrosyl compounds
    Smith, LI
    Taylor, FL
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1935, 57 : 2460 - 2463
  • [25] Nature of the Te•••N intramolecular interaction in organotellurium compounds. A theoretical investigation by NBO and AIM methods
    Behera, Raghu Nath
    Panda, Arunashree
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 999 : 215 - 224
  • [26] CYCLIC MONOMERIC ORGANOMERCURY COMPOUNDS
    BAHR, G
    KUPPER, FW
    CHEMISCHE BERICHTE-RECUEIL, 1967, 100 (12): : 3992 - &
  • [27] OXIDATION OF ALKYL ORGANOMERCURY COMPOUNDS
    RAZUVAEV, GA
    DRUZHKOV, ON
    ZHILTSOV, SF
    PETUKHOV, GG
    DOKLADY AKADEMII NAUK SSSR, 1963, 152 (03): : 633 - &
  • [28] MASS SPECTRA OF ORGANOMERCURY COMPOUNDS
    BREUER, SW
    FEAR, TE
    LINDSAY, PH
    THORPE, FG
    JOURNAL OF THE CHEMICAL SOCIETY C-ORGANIC, 1971, (21): : 3519 - &
  • [29] Intramolecular electronic interaction in a series of organosilicon compounds
    Suvorov, B. A.
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2006, 76 (09) : 1401 - 1406
  • [30] Intramolecular electronic interaction in a series of organosilicon compounds
    B. A. Suvorov
    Russian Journal of General Chemistry, 2006, 76 : 1401 - 1406
12345