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

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1990年 / 94卷 / 20期

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.

引用

页码：7808 / 7811

页数：4

共 21 条

[1] ELECTRON-SPIN-RESONANCE OF BIMETALLIC TRANSITION-METAL MOLECULES AT 4 KI CRCU, CRAG, AND CRAU [J].