IR Spectra of n-Bu4M (M = Si, Ge, Sn, Pb), n-BuAuPPh3-d(15), and ”n-Bu” on a Gold Surface

0477163 - ÚOCHB 2018 RIV US eng J - Článek v odborném periodiku
Kaleta, Jiří - Bednárová, Lucie - Čížková, Martina - Wen, Jin - Kaletová, Eva - Michl, Josef
IR Spectra of n-Bu4M (M = Si, Ge, Sn, Pb), n-BuAuPPh3-d(15), and ”n-Bu” on a Gold Surface.
Journal of Physical Chemistry A. Roč. 121, č. 24 (2017), s. 4619-4625. ISSN 1089-5639. E-ISSN 1520-5215
Grant CEP: GA ČR GA14-02337S
Institucionální podpora: RVO:61388963
Klíčová slova: single-molecule junctions * alkylation
Obor OECD: Physical chemistry
Impakt faktor: 2.836, rok: 2017

Observed and DFT-calculated IR spectra of n-Bu4M (M = Si, Ge, Sn, Pb), (CEI3CH2CH2 (CD2)-C-13)(4)Sn, and n-BuAuPPh(3)d(15) are reported and assigned. The asymmetric CH stretching vibration of the CH2 group adjacent to the metal atom appears as a distinct shoulder at similar to 2934 cm(-1), whereas for other CH2 groups it is located at similar to 2922 cm(-1). The characteristic peak at similar to 2899 cm(-1) is attributed to an overtone of a symmetric CH2 bend at similar to 1445 cm(-1). In n-BuAuPPh3-d(15) the CH stretching vibrations of the butyl group are shifted to lower frequencies by similar to 10 cm(-1), and two possible rationalizations are offered.
Trvalý link: http://hdl.handle.net/11104/0273544