UV resonance Raman analysis of trishomocubane and diamondoid dimers

Reinhard Meinke (Corresponding Author), Robert Richter, Andrea Merli, Andrey A. Fokin, Tetyana Koso, Vladimir N. Rodionov, Peter R. Schreiner, Christian Thomsen, Janina Maultzsch

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9 Citations (Scopus)

Abstract

We present resonance Raman measurements of crystalline trishomocubane and diamantane dimers containing a C=C double bond. Raman spectra were recorded with excitation energies between 2.33 eV and 5.42 eV. The strongest enhancement is observed for the C=C stretch vibration and a bending mode involving the two carbon atoms of the C=C bond, corresponding to the B2g wagging mode of ethylene. This is associated with the localization of the π-HOMO and LUMO and the elongation of the C=C bond length and a pyramidalization of the two sp2-hybridized carbon atoms at the optical excitation. The observed Raman resonance energies of the trishomocubane and diamantane dimers are significantly lower than the HOMO-LUMO gaps of the corresponding unmodified diamondoids.
Original languageEnglish
Article number034309
JournalJournal of Chemical Physics
Volume140
DOIs
Publication statusPublished - Jan 2014
MoE publication typeA1 Journal article-refereed

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