THEORETICAL-STUDY OF THE METAL CHEMICAL-SHIFT IN NUCLEAR MAGNETIC-RESONANCE SPECTROSCOPY - MN COMPLEXES

被引:59
作者
KANDA, K
NAKATSUJI, H
YONEZAWA, T
机构
[1] KYOTO UNIV,GRAD SCH ENGN,DIV MOLEC ENGN,KYOTO 606,JAPAN
[2] KYOTO UNIV,FAC ENGN,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
关键词
D O I
10.1021/ja00332a023
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:5888 / 5892
页数:5
相关论文
共 36 条
[11]  
GREENE PT, 1971, J CHEM SOC A, V10, P1559
[12]   AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF TRANSITION-METAL COMPLEXES .4. ELECTRONIC-STRUCTURE OF MN(CO)5H, MN(CO)5CH3, MN(CO)5CL AND MN(CO)5CN [J].
GUEST, MF ;
HALL, MB ;
HILLIER, IH .
MOLECULAR PHYSICS, 1973, 25 (03) :629-640
[13]  
HAMEKA HF, 1965, ADV QUANTUM CHEM
[14]   CALCULATION OF CHEMICAL SHIFTS .I. GENERAL FORMULATION + Z DEPENDENCE [J].
JAMESON, CJ ;
GUTOWSKY, HS .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (06) :1714-+
[15]  
KING HF, 1979, PROGRAM LIBRARY HOND, V343
[16]  
KUTZELNIGG W, 1980, ISRAEL J CHEM, V19, P193
[17]   THEORETICAL-STUDY OF THE METAL CHEMICAL-SHIFT IN NUCLEAR MAGNETIC-RESONANCE - AG, CD, CU, AND ZN COMPLEXES [J].
NAKATSUJI, H ;
KANDA, K ;
ENDO, K ;
YONEZAWA, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (17) :4653-4660
[18]  
Pauling L., 1960, NATURE CHEM BOND
[19]   Finite perturbation theory for nuclear spin coupling constants [J].
Pople, J. A. ;
McIver, J. W., Jr. ;
Ostlund, N. S. .
CHEMICAL PHYSICS LETTERS, 1967, 1 (10) :465-466
[20]   SELF-CONSISTENT PERTURBATION THEORY .I. FINITEPERTURBATION METHODS [J].
POPLE, JA ;
MCIVER, JW ;
OSTLUND, NS .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (07) :2960-+