ABINITIO STUDY OF ELECTRONIC-PROPERTIES IN FREE AND MATRIX-ISOLATED IRON DIHALIDES

被引：25
作者：
BOMINAAR, EL
GUILLIN, J
SAWARYN, A
TRAUTWEIN, AX
机构：
来源：
PHYSICAL REVIEW B | 1989年 / 39卷 / 01期
关键词：
D O I：
10.1103/PhysRevB.39.72
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
引用
收藏
页码：72 / 79
页数：8
相关论文
共 33 条
[1]   PES OF HIGH-TEMPERATURE VAPORS .8. TRANSITION-METAL DIHALIDES [J].
BERKOWITZ, J ;
STREETS, DG ;
GARRITZ, A .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (03) :1305-1311
[2]   MOSSBAUER AND X-RAY-INVESTIGATION OF MODEL COMPOUNDS FOR THE P460 CENTER OF HYDROXYLAMINE OXIDOREDUCTASE FROM NITROSOMONAS [J].
BILL, E ;
GISMELSEED, A ;
LAROQUE, D ;
TRAUTWEIN, AX ;
NASRI, H ;
FISCHER, J ;
WEISS, R .
HYPERFINE INTERACTIONS, 1988, 42 (1-4) :881-884
[3]   COMPARISON OF ABINITIO QUANTUM-CHEMISTRY CALCULATIONS ON MATRIX-ISOLATED MOLECULES WITH MOSSBAUER-EFFECT STUDIES [J].
BOMINAAR, E ;
GUILLIN, J ;
MARATHE, VR ;
SAWARYN, A ;
TRAUTWEIN, AX .
HYPERFINE INTERACTIONS, 1988, 40 (1-4) :111-122
[4]   ELECTRONIC-STRUCTURE AND MOSSBAUER ISOMER-SHIFT OF THE IRON ATOM ISOLATED IN A CRYSTALLINE ARGON MATRIX [J].
BRAGA, M ;
RIEGO, AR ;
DANON, J .
PHYSICAL REVIEW B, 1980, 22 (11) :5128-5134
[5]   ELECTRONIC ABSORPTION SPECTRA OF GASEOUS 3D TRANSITION-METAL DICHLORIDES [J].
DEKOCK, CW ;
GRUEN, DM .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (12) :4387-&
[6]   CHARGE-TRANSFER SPECTRA OF MATRIX-ISOLATED 3D TRANSITION-METAL DICHLORIDES [J].
DEKOCK, CW ;
GRUEN, DM .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (10) :4521-&
[7]   ABINITIO DETERMINATION OF FE-57(M) QUADRUPOLE-MOMENT FROM MOSSBAUER DATA [J].
DUFF, KJ ;
MISHRA, KC ;
DAS, TP .
PHYSICAL REVIEW LETTERS, 1981, 46 (25) :1611-1614
[8]   ELECTRIC-FIELD GRADIENT AND ELECTRONIC-STRUCTURE OF LINEAR-BONDED HALIDE COMPOUNDS [J].
ELLIS, DE ;
GUENZBURGER, D ;
JANSEN, HB .
PHYSICAL REVIEW B, 1983, 28 (07) :3697-3705
[9]   FAR INFRARED MATRIX SPECTRA OF IRON CHLORIDES FE2CL6, FECL3, FE2CL4, AND FECL2 [J].
FREY, RA ;
WERDER, RD ;
GUNTHARD, HH .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1970, 35 (02) :260-&
[10]  
FRISCH M, 1987, GAUSSIAN86 RELEASE C
1234