ABINITIO DIRECT CALCULATION OF THE SINGLET-TRIPLET SPLITTING IN A MU-OXALATO COPPER(II) BINUCLEAR COMPLEX

被引:91
作者
CHARLOT, MF
VERDAGUER, M
JOURNAUX, Y
DELOTH, P
DAUDEY, JP
机构
[1] UNIV TOULOUSE 3,PHYS QUANT LAB,ERA 821,F-31062 TOULOUSE,FRANCE
[2] CNRS,CHIM COORDINAT LAB,F-31400 TOULOUSE,FRANCE
关键词
D O I
10.1021/ic00191a027
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:3802 / 3808
页数:7
相关论文
共 27 条
[1]   BIMETALLIC COPPER(I) AND COPPER(II) MACROCYCLIC COMPLEXES AS MIMICS FOR TYPE-3 COPPER PAIRS IN COPPER ENZYMES [J].
AGNUS, Y ;
LOUIS, R ;
WEISS, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (12) :3381-3384
[2]  
Anderson P. W., 1963, MAGNETISM, V1, P25
[3]  
ANDERSON PW, 1963, SOLID STATE PHYS, V14, P99
[4]  
ASTHEIMER M, COMMUNICATION
[5]  
Barthelat J, 1978, GAZZ CHIM ITAL, V108, P225
[6]   CRYSTAL-STRUCTURE AND MAGNETIC-PROPERTIES OF DI-MU-AQUA-BIS[MU-[N,N'-BIS(2-HYDROXYETHYL)DITHIOOXAMIDATO(2-)-N,O,S-N',O',S']]-BIS[AQUACOPPER(II)SULFATOCOPPER(II)] - NEW EXAMPLE OF VERY STRONG ANTI-FERROMAGNETIC COUPLING BETWEEN COPPER(II) IONS FAR AWAY FROM EACH OTHER [J].
CHAUVEL, C ;
GIRERD, JJ ;
JEANNIN, Y ;
KAHN, O ;
LAVIGNE, G .
INORGANIC CHEMISTRY, 1979, 18 (11) :3015-3020
[7]  
CLAVERIE P, 1967, INT J QUANTUM CHEM, V1, P75
[8]  
DAUDEY JP, MAGNETO STRUCTURAL C
[9]   ABINITIO DIRECT CALCULATION OF THE SINGLET-TRIPLET SEPARATION IN CUPRIC ACETATE HYDRATE DIMER [J].
DELOTH, P ;
CASSOUX, P ;
DAUDEY, JP ;
MALRIEU, JP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (14) :4007-4016
[10]  
DELOTH P, UNPUB