V, NB, AND TA HYDRIDE MOLECULES IN DEUTERIUM AND RARE-GAS MATRICES - INFRARED AND ELECTRON-SPIN-RESONANCE SPECTRA

被引:30
作者
VANZEE, RJ [1 ]
LI, S [1 ]
WELTNER, W [1 ]
机构
[1] UNIV FLORIDA,CTR CHEM PHYS,GAINESVILLE,FL 32611
关键词
D O I
10.1063/1.469485
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The VH2 molecule was found to have S=3/2 and a 4Σ ground state with a zero-field splitting parameter |D|=0.315 cm-1. 51V (I=7/2) hyperfine splitting was observed in the ESR spectra, but the hydrogen hyperfine was unresolved. The narrowest lines were observed for VD2 in solid deuterium at ∼2 K. Efforts to observe VH4 via ESR were not successful presumably because it could not be prepared in a high enough concentration. The infrared spectra of NbH 2 molecules and their deuterated isotopomers were observed in solid deuterium and rare-gas matrices. NbH2 was found to be bent at 130°, in accord with theoretical calculations. NbH2 was not observed in ESR spectra although it presumably has a 4B1 ground state; this is attributed to a large (>4 cm-1) negative D value. NbH4 was observed via ESR as a tetragonally distorted (D 2d) tetrahedral molecule in its 2B1 lowest state resulting from a static Jahn-Teller effect. 93Nb (I=9/2) and also H hyperfine splittings were observed. A corresponding TaH4 spectrum was attributed to a similarly distorted tetrahedral S=1/2 molecule. © 1995 American Institute of Physics.
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页码:4367 / 4374
页数:8
相关论文
共 41 条
[1]   INTRAMOLECULAR SPIN RELAXATION PROBED BY STERN-GERLACH EXPERIMENTS [J].
AMIRAV, A ;
NAVON, G .
CHEMICAL PHYSICS, 1983, 82 (03) :253-267
[2]   POTENTIAL-ENERGY SURFACES FOR NB + H-2 REACTION [J].
BALASUBRAMANIAN, K ;
RAVIMOHAN, C .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (11) :4490-4494
[3]  
Ballhausen C.J., 1962, INTRO LIGAND FIELD T
[4]   REACTIONS OF LASER-ABLATED TI ATOMS WITH HYDROGEN DURING CONDENSATION IN EXCESS ARGON - INFRARED-SPECTRA OF THE TIH, TIH2, TIH3, AND TIH4 MOLECULES [J].
CHERTIHIN, GV ;
ANDREWS, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (18) :8322-8327
[5]   POTENTIAL-ENERGY SURFACES FOR THE INSERTION OF TA AND TA+ INTO H-2 [J].
DAI, DG ;
CHENG, W ;
BALASUBRAMANIAN, K .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (12) :9094-9105
[6]   SPIN-ORBIT COUPLING IN FIRST AND SECOND TRANSITION SERIES [J].
DUNN, TM .
TRANSACTIONS OF THE FARADAY SOCIETY, 1961, 57 (09) :1441-&
[7]   MAGNETIC DEFLECTION SPECTRUM OF VCL4 [J].
GEDANKEN, A ;
KUEBLER, NA ;
ROBIN, MB ;
HERRICK, DR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (15) :5568-5572
[8]  
GOODMAN BA, 1970, ADV INORG CHEM RAD, V13, P244
[9]  
GRUEN DM, 1978, INORG CHEM, V17, P2275
[10]   MULTICONFIGURATION STUDIES OF SOME LOW-LYING BOUND-STATES OF VH [J].
HENDERSON, GA ;
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (07) :2805-2809