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Author Liu, Meng-Chen ♦ Chin, Chih-Hao ♦ Chen, Sian-Cong ♦ Huang, Tzu-Ping ♦ Chen, Hui-Fen ♦ Huang, Wei-Jie ♦ Wu, Yu-Jong
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ ANIONS ♦ BORANES ♦ BORON HYDRIDES ♦ DENSITY FUNCTIONAL METHOD ♦ ELECTRON BEAMS ♦ INFRARED SPECTRA ♦ ISOTOPE RATIO ♦ PHOTOLYSIS
Abstract Three-center two-electron bonds are important for understanding electron-deficient molecules. To examine such a molecule, we produced a diborane(5) anion with a single-bridged structure upon electron bombardment during matrix deposition of Ar containing a small proportion of diborane(6). The diborane(5) anion was destroyed upon photolysis at 180, 220, 385, and 450 nm, but not at 532 nm. Moreover, the possible formation of neutral diborane(5) was observed upon photolysis at 385 and 450 nm, whereas neutral diborane(3) was observed upon photolysis at 180 and 220 nm. The observed line wavenumbers, relative intensities, and isotopic ratios of the diborane(5) anion agreed satisfactorily with those predicted by density functional theory calculations at the B3LYP/aug-cc-pVTZ level of theory. Thus, this method produced the boron hydride anion of interest with few other fragments, which enabled us to clearly identify the IR spectrum of the diborane(5) anion.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-08-21
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 145
Issue Number 7


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