X-ALPHA CALCULATIONS OF THE ELECTRON-PARAMAGNETIC-RES PARAMETERS OF PSEUDOTETRAHEDRAL COPPER(II) COMPLEXES

被引:47
作者
BENCINI, A [1 ]
GATTESCHI, D [1 ]
机构
[1] CNR,ISSECC,FLORENCE,ITALY
关键词
D O I
10.1021/ja00355a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:5535 / 5541
页数:7
相关论文
共 52 条
[1]   ANOMALOUS SPIN HAMILTONIAN PARAMETERS OF PSEUDOTETRAHEDRAL COPPER(II) COMPLEXES - ESR-SPECTRA OF COPPER(II)-DOPED DICHLOROBIS(TRIPHENYLPHOSPHINE OXIDE)ZINC(II) [J].
BENCINI, A ;
GATTESCHI, D ;
ZANCHINI, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (16) :5234-5237
[2]  
Bencini A., 1982, TRANSIT METAL CHEM, V8, P1
[3]   THEORY OF SPIN-ORBIT COUPLING IN ATOMS .2. COMPARISON OF THEORY WITH EXPERIMENT [J].
BLUME, M ;
WATSON, RE .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1963, 271 (1344) :565-+
[4]   ELECTRONIC-STRUCTURE OF TRANSITION-METAL NITROSYLS - X-ALPHA-SW AND CONFIGURATION-INTERACTION CALCULATIONS OF THE VALENCE IONIZATION-POTENTIALS OF CO(CO)3NO AND MN(CO)4NO [J].
BURSTEN, BE ;
JENSEN, JR ;
GORDON, DJ ;
TREICHEL, PM ;
FENSKE, RF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (17) :5226-5231
[5]   LCAO REPRESENTATION OF X ALPHA-SW MOLECULAR-ORBITALS [J].
BURSTEN, BE ;
FENSKE, RF .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (07) :3138-3145
[6]   X-ALPHA OPTIMIZED ATOMIC ORBITAL BASIS [J].
BURSTEN, BE ;
JENSEN, JR ;
FENSKE, RF .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (07) :3320-3321
[7]   XALPHA MULTIPLE-SCATTERING CALCULATIONS ON COPPER PORPHINE [J].
CASE, DA ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (19) :6182-6194
[8]   CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS [J].
CASE, DA ;
KARPLUS, M .
CHEMICAL PHYSICS LETTERS, 1976, 39 (01) :33-38
[9]  
CASSIDY P, 1975, J CHEM SOC CHEM COMM, V837
[10]   ELECTRON PIN RESONANCE SPECTRA AND COVALENT BONDING IN SQUARE-PLANAR CUCL4/2- AND CUBR4/2- IONS [J].
CHOW, C ;
CHANG, K ;
WILLETT, RD .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) :2629-2640