Article (Scientific journals)
Medium and High Resolution Vacuum UV Photoabsorption Spectroscopy of Methyl Iodide (CH3I) and its deuterated isotopomers CD3I and CH2DI. A Rydberg series Analysis.
Locht, Robert; Leyh, Bernard; Jochims, H.-W. et al.
2009In Chemical Physics, 365 (3), p. 109-128
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Keywords :
V-UV Photoabsorption; Medium and high resolution; Synchrotron radiation; Rydberg states; Ab initio calculations; Ionization energies; Isotopomers; CH3I, CD3I, CH2DI
Abstract :
[en] The vacuum UV photoabsorption spectrum of CH3I has been investigated between 5 and 20 eV. Numerous vibronic transitions are observed. In the high 10-20 eV photon energy range weak to very weak diffuse bands are observed and ascribed to electronic transitions from 3a1, 1e and 2a1 to Rydberg orbitals. In the 6-10.5 eV photon energy range more than 200 sharp and strong to weak lines have been observed. Several photon energy ranges were explored under high resolution conditions allowing us to observe many series up to high values of the principal quantum number n. They are assigned to vibrationless Rydberg transitions and classified into two groups converging to the two components of the spin-orbit split 2E state of CH3I+. These two groups consist of six different Rydberg series, i.e., nsa1, npa1, npe, nda1, nde and nf. A very close correlation has been established between the term values of the Rydberg states in CH3I and in Xe for ns, np, nd and nf Rydberg transitions. For the first time, the same measurements have been performed and the interpretation has been proposed for the photoabsorption spectrum of CH2DI and CD3I in the 6-10.5 eV photon energy range. For these two species, ionization energies are deduced: for the 2E3/2 and 2E1/2 states of CH2DI, these are IEad=9.544 eV and IEad=10.168 eV respectively and the corresponding energies are 9.552 eV and 10.173 eV in CD3I.
Research center :
Laboratoire de Dynamique Moléculaire
Disciplines :
Chemistry
Author, co-author :
Locht, Robert  ;  Université de Liège - ULiège > Département de Chimie (Faculté des sciences) > Laboratoire de Dynamique Moléculaire(Sciences)
Leyh, Bernard  ;  Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de dynamique moléculaire
Jochims, H.-W.;  Freie Universität Berlin > Institut für Physkalische und Theoretische Chemie
Baumgärtel, H.;  Freie Universität Berlin > Institut fûr Physikalische und Theoretische Chemie
Language :
English
Title :
Medium and High Resolution Vacuum UV Photoabsorption Spectroscopy of Methyl Iodide (CH3I) and its deuterated isotopomers CD3I and CH2DI. A Rydberg series Analysis.
Alternative titles :
[en] La spectroscopie de photoabsorption dans l'UV sous vide à moyenne et haute résolution de l'Iodure de Méthyl (CH3I) et de ses isotopomères deutériés CD3I et CH2DI. Une analyse des séries de Rydberg.
Publication date :
2009
Journal title :
Chemical Physics
ISSN :
0301-0104
Publisher :
Elsevier Science, Amsterdam, Netherlands
Volume :
365
Issue :
3
Pages :
109-128
Peer reviewed :
Peer Reviewed verified by ORBi
Funders :
Union Européenne = European Union - UE = EU Contract EU-HPRI-1999CT-00028 and RII 3 CT-2004-506008
Commentary :
- PDF-version of Editor's Postprint available on request - Version-pdf du tiré-à-part disponible sur demande
Available on ORBi :
since 28 November 2009

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