Isotope effects on the resonance interactions and vibrational quantum dynamics of fluoroform 12,13CHF3

Sieghard Albert, Elena Bekhtereva, Irina Bolotova, Ziqiu Chen, Csaba Fábri, Hans Hollenstein, Martin Quack, Oleg Ulenikov

Результат исследований: Материалы для журналаСтатья

5 Цитирования (Scopus)

Выдержка

We report a comparison of the analysis of the low energy spectrum of 13CHF3 and 12CHF3 from the THz (FIR) range to the ν1 fundamental at high resolution (δ < 0.001 cm-1 or otherwise Doppler limited) on the basis of FTIR spectra taken both with ordinary light sources and with the synchrotron radiation from the Swiss Light Source. Several vibrational levels are accurately determined including, in particular, the 2ν4 CH-bending overtone and the ν1 CH-stretching fundamental of 13CHF3. Comparison of experimental results with those from accurate full dimensional vibrational calculations allows for a study of the time-dependent quantum dynamics of intramolecular vibrational redistribution (IVR) in the CH chromophore both on short time scales (fs) and longer time scales (ps) when coupling to the lower frequency modes becomes important and where the 12C/13C isotope effects are very large.

Язык оригиналаАнглийский
Страницы (с-по)26527-26534
Число страниц8
ЖурналPhysical Chemistry Chemical Physics
Том19
Номер выпуска39
DOI
СостояниеОпубликовано - 2017

Отпечаток

Isotopes
isotope effect
Light sources
methylidyne
light sources
Chromophores
Synchrotron radiation
Stretching
interactions
chromophores
synchrotron radiation
energy spectra
low frequencies
harmonics
high resolution
fluoroform

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Цитировать

Isotope effects on the resonance interactions and vibrational quantum dynamics of fluoroform 12,13CHF3. / Albert, Sieghard; Bekhtereva, Elena; Bolotova, Irina; Chen, Ziqiu; Fábri, Csaba; Hollenstein, Hans; Quack, Martin; Ulenikov, Oleg.

В: Physical Chemistry Chemical Physics, Том 19, № 39, 2017, стр. 26527-26534.

Результат исследований: Материалы для журналаСтатья

Albert, Sieghard ; Bekhtereva, Elena ; Bolotova, Irina ; Chen, Ziqiu ; Fábri, Csaba ; Hollenstein, Hans ; Quack, Martin ; Ulenikov, Oleg. / Isotope effects on the resonance interactions and vibrational quantum dynamics of fluoroform 12,13CHF3. В: Physical Chemistry Chemical Physics. 2017 ; Том 19, № 39. стр. 26527-26534.
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AU - Bolotova, Irina

AU - Chen, Ziqiu

AU - Fábri, Csaba

AU - Hollenstein, Hans

AU - Quack, Martin

AU - Ulenikov, Oleg

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AB - We report a comparison of the analysis of the low energy spectrum of 13CHF3 and 12CHF3 from the THz (FIR) range to the ν1 fundamental at high resolution (δ < 0.001 cm-1 or otherwise Doppler limited) on the basis of FTIR spectra taken both with ordinary light sources and with the synchrotron radiation from the Swiss Light Source. Several vibrational levels are accurately determined including, in particular, the 2ν4 CH-bending overtone and the ν1 CH-stretching fundamental of 13CHF3. Comparison of experimental results with those from accurate full dimensional vibrational calculations allows for a study of the time-dependent quantum dynamics of intramolecular vibrational redistribution (IVR) in the CH chromophore both on short time scales (fs) and longer time scales (ps) when coupling to the lower frequency modes becomes important and where the 12C/13C isotope effects are very large.

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