THEORETICAL-STUDY OF VALENCE ISOMERIZATION IN THE HOCL2 SYSTEM

被引：2

作者：

TURNER, AG

OLEKSIK, J

机构：

[1] Department of Chemistry, University of Detroit, Detroit

来源：

INORGANICA CHIMICA ACTA | 1991年 / 180卷 / 01期

关键词：

D O I：

10.1016/S0020-1693(00)83059-5

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Hartree-Fock level and post Hartree-Fock level molecular orbital calculations are reported for the HOOCl and HOClO molecules. The calculations indicate that the HOOCl isomer is more stable than the HOClO form. Geometries have been determined at the HF/6-311G(d,p) level, together with vibrational frequencies, rotational constants and electrical moments. A discussion of the chemical bonding within the molecules is presented.

引用

页码：15 / 17

页数：3

共 50 条

[31] THE THERMAL-ISOMERIZATION OF BICYCLIC OXAZINES INTO EPOXYEPIMINES - A PRELIMINARY THEORETICAL-STUDY
SANA, M
LEROY, G
VAERMAN, JL
VIEHE, HG
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1990, 68 (09): : 1625 - 1628
[32] THEORETICAL-STUDY OF A MODEL ISOMERIZATION REACTION AT THE LIQUID-SOLID INTERFACE
ROSE, DA
BENJAMIN, I
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (13): : 5292 - 5300
[33] A THEORETICAL-STUDY OF MONOSUBSTITUTED CYCLOPROPENYL SYSTEM
YAHYA, NM
KHALIL, SM
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1992, 47 (06): : 768 - 774
[34] THEORETICAL-STUDY OF THE OGAWA BAND SYSTEM OF NO
LANGHOFF, SR
PARTRIDGE, H
BAUSCHLICHER, CW
JOURNAL OF MOLECULAR SPECTROSCOPY, 1989, 138 (01) : 123 - 134
[35] A THEORETICAL-STUDY OF ISOMERIZATION OF AND IONIZATION OF REPRESENTATIVE 1-CHLORO-2-METHYL-1-PROPENYLMETALS
NELSON, DJ
HOHMANN, S
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 24 - ORGN
[36] A Theoretical Study on the Isomerization of HSOF System
CHEN WenKaia CAO MeiJuana LIU ShuHonga LI Yia LI JunQianab YANG YingChunc aDepartment of Chemistry Fuzhou University
Fuzhou China bState Key Laboratory of Structural Chemistry Fuzhou China c Department of Earth and Environmental Sciences Chengdu University of Information Technology Chengdu China
结构化学, 2005, (03) : 319 - 323+252
[37] A Theoretical Study on the Isomerization of HSOF System
CHEN Wen-Kaia② CAO Mei-Juana LIU Shu-Honga LI Yia LI Jun-Qiana
Fuzhou 350002
Chinese Journal of Structural Chemistry, 2005, (03) : 319 - 323
[38] A theoretical study on the isomerization of HSOF system
Chen, WK
Cao, MJ
Liu, SH
Li, Y
Li, JQ
Yang, YC
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2005, 24 (03) : 319 - 323
[39] THEORETICAL-STUDY OF THE VALENCE TRANSITION IN SM1-XMXS ALLOYS
AVELINE, I
IGLESIASSICARDI, JR
JOURNAL OF LOW TEMPERATURE PHYSICS, 1979, 35 (3-4) : 433 - 447
[40] Influence of HOCl•••O3 and HOCl•••HOCl interactions on the stability of O3(HOCl)2 complexes: a theoretical study
Roohi, Hossein
Nowroozi, Ali-Reza
Ebrahimi, Ali
Eshghi, Fazlola
Ahmadepour, Elham
MOLECULAR SIMULATION, 2011, 37 (05) : 386 - 393

← 1 2 3 4 5 →