Journal article

Publication year: 2017

Pages: 27082-27088

Journal: Journal of Physical Chemistry C

Volume number: 121

Issue number: 48

DOI Link: https://doi.org/10.1021/acs.jpcc.7b07666

Publisher: American Chemical Society

Abstract: 

We analyzed the vibrational and electronic properties of diamondoid
oligomers via resonance Raman spectroscopy. The compounds consist of
lower diamondoids such as adamantane or diamantane that are
interconnected with double bonds. Therefore, all oligomers have
ethylene-like centers strongly influencing the character of the optical
transitions. The double bond localizes the HOMO (highest occupied
moluecular orbital) in between the diamondoids accompanied by a
significant decrease of optical transition energies. Comparing Raman
spectra of the compounds to pristine diamondoids, we find several
characteristic modes originating from the ethylene moieties. Supported
by DFT (density functional theory) computations, we attribute these
modes to highly localized vibrations that can partially be derived from
the vibrational modes of parent ethylene. We further observe two new
Raman modes in the compounds: a dimer breathing mode and a rotational
mode of the entire ethylene moieties.

Harvard Citation style: Tyborski, C., Gillen, R., Fokin, A., Koso, T., Fokina, N., Hausmann, H., et al. (2017) Electronic and Vibrational Properties of Diamondoid Oligomers, Journal of Physical Chemistry C, 121(48), pp. 27082-27088. https://doi.org/10.1021/acs.jpcc.7b07666

APA Citation style: Tyborski, C., Gillen, R., Fokin, A., Koso, T., Fokina, N., Hausmann, H., Rodionov, V., Schreiner, P., Thomsen, C., & Maultzsch, J. (2017). Electronic and Vibrational Properties of Diamondoid Oligomers. Journal of Physical Chemistry C. 121(48), 27082-27088. https://doi.org/10.1021/acs.jpcc.7b07666