MOLECULAR GAH2CL - MATRIX INFRARED-SPECTRUM AND ABINITIO INVESTIGATIONS

被引:29
作者
KOPPE, R [1 ]
SCHNOCKEL, H [1 ]
机构
[1] UNIV MUNICH,INST ANORGAN CHEM,MEISERSTR 1,W-8000 MUNICH 2,GERMANY
来源
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1992年 / 23期
关键词
D O I
10.1039/dt9920003393
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
On the basis of the matrix IR spectrum of molecular GaH2Cl, formed in a matrix reaction of H-2 and molecular GaCl, the force constants of the Ga-Cl and Ga-H bonds have been determined to be 2.38 and 2.26 mdyn angstrom-1 respectively; these results are confirmed by ab initio MP2 calculations.
引用
收藏
页码:3393 / 3395
页数:3
相关论文
共 14 条
[1]   FORMATION AND STRUCTURE OF MOLECULAR O=P-F - MASS-SPECTROMETRY, INFRARED-SPECTRA OF THE MATRIX-ISOLATED SPECIES, AND ABINITIO CALCULATIONS [J].
AHLRICHS, R ;
BECHERER, R ;
BINNEWIES, M ;
BORRMANN, H ;
LAKENBRINK, M ;
SCHUNCK, S ;
SCHNOCKEL, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (25) :7905-7911
[2]   ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE [J].
AHLRICHS, R ;
BAR, M ;
HASER, M ;
HORN, H ;
KOLMEL, C .
CHEMICAL PHYSICS LETTERS, 1989, 162 (03) :165-169
[3]   CHEMICAL BONDING GRAPHICS - POPULATION ANALYSES [J].
AHLRICHS, R ;
EHRHARDT, C .
CHEMIE IN UNSERER ZEIT, 1985, 19 (04) :120-124
[4]  
AHLRICHS R, COMMUNICATION
[5]  
AMOS RD, 1987, CADPAC CAMBRIDGE ANA
[6]   CHLOROGALLANES (GACLH2, GACL2H, AND GACL3) AND THEIR DIMER ISOMERS [J].
DUKE, BJ ;
HAMILTON, TP ;
SCHAEFER, HF .
INORGANIC CHEMISTRY, 1991, 30 (22) :4225-4229
[7]   POPULATION ANALYSIS BASED ON OCCUPATION NUMBERS .2. RELATIONSHIP BETWEEN SHARED ELECTRON NUMBERS AND BOND-ENERGIES AND CHARACTERIZATION OF HYPERVALENT CONTRIBUTIONS [J].
EHRHARDT, C ;
AHLRICHS, R .
THEORETICA CHIMICA ACTA, 1985, 68 (03) :231-245
[8]   MONOCHLOROGALLANE - SYNTHESIS, PROPERTIES, AND STRUCTURE OF THE DIMER H2GA(MU-CL)2GAH2 IN THE GAS-PHASE AS DETERMINED BY ELECTRON-DIFFRACTION [J].
GOODE, MJ ;
DOWNS, AJ ;
PULHAM, CR ;
RANKIN, DWH ;
ROBERTSON, HE .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1988, (12) :768-769
[9]   POPULATION ANALYSIS BASED ON OCCUPATION NUMBERS OF MODIFIED ATOMIC ORBITALS (MAOS) [J].
HEINZMANN, R ;
AHLRICHS, R .
THEORETICA CHIMICA ACTA, 1976, 42 (01) :33-45
[10]  
Huber K. P., 1979, CONSTANTS DIATOMIC M, DOI DOI 10.1007/978-1-4757-0961-2_2