共 21 条
[21]
Weltner W., 1989, MAGNETIC ATOMS MOL
ESR-SPECTRUM AND GROUND-STATE OF THE SCCR MOLECULE
被引：6
作者：
CHEESEMAN, M
VANZEE, RJ
WELTNER, W
机构：
[1] UNIV FLORIDA, CTR CHEM PHYS, GAINESVILLE, FL 32611 USA
[2] UNIV FLORIDA, DEPT CHEM, GAINESVILLE, FL 32611 USA
关键词：
D O I：
10.1021/j100383a014
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 diatomic molecule ScCr is found to have a 6Σ ground state (unlike its isoelectronic counterpart TiV which is 4Σ) by observing its X-band ESR spectrum in a solid argon matrix at 4 K. 45Sc(I=7/2) and 53Cr(I=3/2) hyperfine splittings were detected. g-tensor and zero-field-splitting parameters were found to be g⊥ = 2.070 (1) (g∥ = 2.0023, assumed) and D = -0.1311 (2) cm-1. Magnetic parameters are interpreted and discussed in terms of a sσ2dσ2dσ*1dπ 2dδ2 electronic configuration. A low-lying 6Πi state is indicated by the large positive value of Δg⊥. © 1990 American Chemical Society.
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页码：7808 / 7811
页数：4
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