The first rotationally resolved observation of the infrared (IR) spectrum of the molecular complex in gas phase is reported. New IR spectra have been recorded at high resolution by means of a slit jet. Rotational constants and vibrational frequencies have been obtained from these spectra. These data are presented and compared with high level ab initio calculations (CCSD(T)/cc-pVTZ). The results obtained in this study are compared with those on acetylene and ethene-HCl complexes. We observe a broadening of the lines interpreted as a decrease of the lifetime of the excited vibrational state with the size of the partner of complexation and also a correlation between the vibrational shift of the H–Cl stretching mode and the proton affinity of the acceptor molecule.
Skip Nav Destination
Article navigation
28 April 2010
Research Article|
April 26 2010
Infrared study on hydrogen chloride complexed with allene
Michele Chevalier;
Michele Chevalier
a)
1CNRS, Laboratoire de Photophysique Moléculaire UPR3361,
Univ. Paris-Sud
, F-91405 Orsay, France
Search for other works by this author on:
Michel Broquier;
Michel Broquier
1CNRS, Laboratoire de Photophysique Moléculaire UPR3361,
Univ. Paris-Sud
, F-91405 Orsay, France
Search for other works by this author on:
Valerie Brenner
Valerie Brenner
2Laboratoire Francis Perrin,
URA CEA-CNRS 2453
, CEA Saclay, Bât 522, 91191 Gif-sur-Yvette Cedex, France
Search for other works by this author on:
a)
Electronic mail: michele.chevalier@u-psud.fr.
J. Chem. Phys. 132, 164306 (2010)
Article history
Received:
October 29 2009
Accepted:
March 29 2010
Citation
Michele Chevalier, Michel Broquier, Valerie Brenner; Infrared study on hydrogen chloride complexed with allene. J. Chem. Phys. 28 April 2010; 132 (16): 164306. https://doi.org/10.1063/1.3397990
Download citation file:
Sign in
Don't already have an account? Register
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Pay-Per-View Access
$40.00
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Related Content
Rotationally resolved photoelectron spectroscopic study of the Jahn–Teller effect in allene
J. Chem. Phys. (January 2009)
Theoretical study of unimolecular decomposition of allene cations
J. Chem. Phys. (December 2008)
Substituent effects on dynamics at conical intersections: Allene and methyl allenes
J. Chem. Phys. (January 2016)
Allene and pentatetraene cations as models for intramolecular charge transfer: Vibronic coupling Hamiltonian and conical intersections
J. Chem. Phys. (April 2005)
Steps towards molecular parity violation in axially chiral molecules. I. Theory for allene and 1,3-difluoroallene
J. Chem. Phys. (August 2005)