UV resonance Raman analysis of trishomocubane and diamondoid dimers

Reinhard Meinke; Robert Richter; Andrea Merli; Andrey A. Fokin; Tetyana Koso; Vladimir N. Rodionov; Peter R. Schreiner; Christian Thomsen; Janina Maultzsch

doi:10.1063/1.4861758

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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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 language	English
Article number	034309
Journal	Journal of Chemical Physics
Volume	140
DOIs	https://doi.org/10.1063/1.4861758
Publication status	Published - Jan 2014
MoE publication type	A1 Journal article-refereed

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@article{89ebc7bdbfa14dd8a8c7e4f4a1597a79,

title = "UV resonance Raman analysis of trishomocubane and diamondoid dimers",

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.",

author = "Reinhard Meinke and Robert Richter and Andrea Merli and Fokin, {Andrey A.} and Tetyana Koso and Rodionov, {Vladimir N.} and Schreiner, {Peter R.} and Christian Thomsen and Janina Maultzsch",

year = "2014",

month = jan,

doi = "10.1063/1.4861758",

language = "English",

volume = "140",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics (AIP)",

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TY - JOUR

T1 - UV resonance Raman analysis of trishomocubane and diamondoid dimers

AU - Meinke, Reinhard

AU - Richter, Robert

AU - Merli, Andrea

AU - Fokin, Andrey A.

AU - Koso, Tetyana

AU - Rodionov, Vladimir N.

AU - Schreiner, Peter R.

AU - Thomsen, Christian

AU - Maultzsch, Janina

PY - 2014/1

Y1 - 2014/1

N2 - 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.

AB - 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.

UR - https://researchportal.helsinki.fi/en/publications/cd91719b-96b3-4b5c-911b-b36fa8b5316b

U2 - 10.1063/1.4861758

DO - 10.1063/1.4861758

M3 - Article

SN - 0021-9606

VL - 140

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

M1 - 034309

ER -

UV resonance Raman analysis of trishomocubane and diamondoid dimers

Abstract

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