GENERALIZED MOLECULAR-ORBITAL CALCULATIONS ON TRANSITION-METAL DIOXYGEN COMPLEXES - MODEL FOR MANGANESE PORPHYRIN

被引:21
作者
NEWTON, JE [1 ]
HALL, MB [1 ]
机构
[1] TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
关键词
D O I
10.1021/ic00210a022
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:2573 / 2577
页数:5
相关论文
共 45 条
[1]   BINDING OF OXYGEN AND CARBON-MONOXIDE TO HEMOGLOBIN - ANALYSIS OF THE GROUND AND EXCITED-STATES [J].
CASE, DA ;
HUYNH, BH ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) :4433-4453
[2]   MULTIDENTATE CHEMISTRY OF MANGANESE(II) .4. NON-CHARGED COMPLEXES OF LINEAR QUADRIDENTATE NITROGENOUS LIGANDS AND THEIR REACTION WITH OXYGEN [J].
CHISWELL, B .
INORGANICA CHIMICA ACTA, 1977, 23 (01) :77-84
[3]   DIOXYGEN REACTIVITY-STRUCTURE CORRELATIONS IN MANGANESE(II) COMPLEXES [J].
COLEMAN, WM ;
TAYLOR, LT .
COORDINATION CHEMISTRY REVIEWS, 1980, 32 (01) :1-31
[4]   OXYGENATION STUDIES OF MANGANESE(II) COMPLEXES CONTAINING LINEAR PENTADENTATE LIGANDS [J].
COLEMAN, WM ;
TAYLOR, LT .
INORGANIC CHEMISTRY, 1977, 16 (05) :1114-1119
[5]   ABINITIO CALCULATIONS OF METALLOPORPHYRINS [J].
DEDIEU, A ;
ROHMER, MM ;
VEILLARD, A .
ADVANCES IN QUANTUM CHEMISTRY, 1982, 16 :43-95
[6]   OXYGEN BINDING TO MANGANESE PORPHYRIN - AB-INITIO CALCULATION [J].
DEDIEU, A ;
ROHMER, MM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (24) :8050-8051
[7]  
DEDIEU A, 1979, NOUV J CHIM, V3, P653
[8]   SPIN-PAIRING MODEL OF DIOXYGEN BINDING AND ITS APPLICATION TO VARIOUS TRANSITION-METAL SYSTEMS AS WELL AS HEMOGLOBIN COOPERATIVITY [J].
DRAGO, RS ;
CORDEN, BB .
ACCOUNTS OF CHEMICAL RESEARCH, 1980, 13 (10) :353-360
[9]  
DRAGO RS, 1981, COMMENTS INORG CHEM, V1, P53
[10]  
ELVIDGE JA, 1959, P CHEM SOC LONDON, P195