Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study

Fagiani MR, Zeonjuk LL, Esser TK, Gabel D, Heine T, Asmis KR, Warneke J (2015)

Publication Type: Journal article

Publication year: 2015

Journal

Chemical Physics Letters Elsevier

Book Volume: 625

Pages Range: 48-52

DOI: 10.1016/j.cplett.2015.02.030

Abstract

The opening of an icosahderal boron cage in the periodinated closo-dodecaborate B12I122- upon deiodination is studied using cryogenic ion trap vibrational spectroscopy combined with electronic structure calculations. Comparison of simulated vibrational spectra to the infrared photodissociation spectra of messenger-tagged B12I122- and B12In- (n = 7-9) formed by skimmer collision induced dissociation shows that the larger clusters absorb exclusively below 975 cm-1 and hence exhibit quasi-icosahedral B12-cage structures, while the higher energy absorptions in-between 1000 and 1300 cm-1 observed for n = 7 can only be recovered by considering a breakup of the icosahedral cage upon deiodination from n = 8 to n = 7.

Involved external institutions

Universität Leipzig DE Germany (DE) Jacobs University Bremen gGmbH DE Germany (DE) Universität Bremen DE Germany (DE)

How to cite

APA:

Fagiani, M.R., Zeonjuk, L.L., Esser, T.K., Gabel, D., Heine, T., Asmis, K.R., & Warneke, J. (2015). Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study. Chemical Physics Letters, 625, 48-52. https://doi.org/10.1016/j.cplett.2015.02.030

MLA:

Fagiani, Matias R., et al. "Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study." Chemical Physics Letters 625 (2015): 48-52.

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