Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH3, CH2D, CHD2 and CD3: Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations

0356830 - ÚFCH JH 2011 RIV US eng J - Článek v odborném periodiku
Cunha de Miranda, B. K. - Alcaraz, Ch. - Elhanine, M. - Noller, B. - Hemberger, P. - Fischer, I. - Garcia, G. A. - Soldi-Lose, H. - Gans, B. - Mendes, L. A. V. - Boyé-Péronne, S. - Douin, S. - Žabka, Ján - Botschwina, P.
Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH3, CH2D, CHD2 and CD3: Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations.
Journal of Physical Chemistry A. Roč. 114, č. 14 (2010), s. 4818-4830. ISSN 1089-5639. E-ISSN 1520-5215
Grant ostatní: CNRS-AVCR(FR) 20201
Výzkumný záměr: CEZ:AV0Z40400503
Klíčová slova: Threshold photoelectron spectroscopy * isotopomers * clusters
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.732, rok: 2010

Threshold photoelectron spectra (TPES) of the isotopomers of the methyl radical (CH3, CH2D, CHD2, and CD3) have been recorded in the 9.5-10.5 eV VUV photon energy range using third generation synchrotron radiation to investigate the vibrational spectroscopy of the corresponding cations at a 7-11 meV resolution. A threshold photoelectron-photoion coincidence (TPEPICO) spectrometer based on velocity map imaging and Wiley-McLaren time-of-flight has been used to simultaneously record the TPES of several radical species produced in a Ar-seeded beam by dc flash-pyrolysis of nitromethane (CHxDyNO2, x + y = 3). Vibrational bands belonging to the symmetric stretching and out-of-plane bending modes have been observed and P, Q, and R branches have been identified in the analysis of the rotational profiles.
Trvalý link: http://hdl.handle.net/11104/0006356