INFRARED-SPECTRA OF MOLECULAR B(OH)3 AND HOBO IN SOLID ARGON

被引:54
作者
ANDREWS, L
BURKHOLDER, TR
机构
[1] Department of Chemistry, University of Virginia, Charlottesville
关键词
D O I
10.1063/1.463545
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
Anhydrous B(OH)3 was pressed into a pellet and sublimed at room temperature under vacuum to give molecular B(OH)3 for argon matrix infrared study. The spectrum showed sharp fundamentals without the effect of hydrogen bonding observed in the solid. Fermi resonances were characterized for two fundamentals. The observed frequencies for B(OH)3 and the three deuterium substituted molecules are in agreement with values from self-consistent field/double zeta plus polarization (SCF/DZP) calculations allowing for appropriate scale factors. The major thermal decomposition products from pulsed laser evaporation of B(OH)3 were H2O, B2O3, and HOBO. Molecular HOBO was characterized by a strong 2020 cm-1 fundamental, which was confirmed by SCF/DZP calculations.
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页码:7203 / 7210
页数:8
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