First high resolution analysis of the ν21 band of propane CH3CH2CH3 at 921.382 cm-1: Evidence of large amplitude tunneling effects

被引：13

作者：

Perrin, A. ^{[1
]}

Kwabia-Tchana, F. ^{[1
]}

Flaud, J. M. ^{[1
]}

Manceron, L. ^{[2
,3
]}

Demaison, J. ^{[4
]}

Vogt, N. ^{[4
]}

Groner, P. ^{[5
]}

Lafferty, W. J. ^{[6
]}

机构：

[1] Univ Paris 07, Univ Paris Est Creteil, IPSL, LISA,UMR7583,CNRS, F-94010 Creteil, France

[2] Synchrotron SOLEIL, Beamline AILES, F-91192 St Aubin, France

[3] Univ Paris 06, CNRS, MONARIS, UMR 8233, F-75252 Paris, France

[4] Univ Ulm, Sect Chem Informat Syst, D-89069 Ulm, Germany

[5] Univ Missouri, Dept Chem, Kansas City, MO 64113 USA

[6] NIST, Opt Technol Div, Gaithersburg, MD 20899 USA

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2015年 / 315卷

关键词：

Propane; CH3CH2CH3; Two equivalent methyl rotors; Vibration-rotation resonances; Infrared; SOLEIL synchrotron; Large amplitude tunnelings; MICROWAVE-SPECTRUM; INTERNAL-ROTATION; TORSIONAL SPECTRA; INFRARED-SPECTRUM; NU(9) BAND; MU-M; MOLECULES; ROTORS; SUBMILLIMETER; ASSIGNMENTS;

D O I：

10.1016/j.jms.2015.02.010

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

A high resolution (0.0015 cm(-1)) IR spectrum of propane, C3H8, has been recorded with synchrotron radiation at the French light source facility at SOLEIL coupled to a Bruker IFS-125 Fourier transform spectrometer. A preliminary analysis of the nu(21) fundamental band (B-1, CH3 rock) at 921.382 cm(-1) reveals that the rotational energy levels of 21(1) are split by interactions with the internal rotations of the methyl groups. The AA, EE and AE + EA components of this A-type band have their band centers at 921.3724(38), 921.3821(33) and 921.3913(44) cm(-1), respectively. These torsional splittings most probably are due to anharmonic and/or Coriolis resonance couplings with nearby highly excited states of both internal rotations of the methyl groups. In addition, several vibrational-rotational resonances were observed that affect the torsional components in different ways. (C) 2015 Elsevier Inc. All rights reserved.

引用

页码：55 / 62

页数：8

共 52 条

[1] [Anonymous], Z NATURFORSCH A
[2] BESTMANN G, 1985, Z NATURFORSCH A, V40, P508
[3] DETERMINATION OF A HIGH BARRIER HINDERING INTERNAL-ROTATION FROM THE GROUND-STATE SPECTRUM - THE METHYLBARRIER OF PROPANE
BESTMANN, G
LALOWSKI, W
DREIZLER, H
[J]. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1985, 40 (03): : 271 - 273
[4] High resolution infrared spectrum and global analysis of ν5, ν12, and ν12+ν6-ν6 in CH3SiH3
Borvayeh, L.
Ozier, I.
Bauder, A.
Moazzen-Ahmadi, N.
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 2009, 255 (02) : 122 - 133
[5] Performance of the AILES THz-Infrared beamline at SOLEIL for High resolution spectroscopy
Brubach, Jean-Blaise
Manceron, Laurent
Rouzieres, Mathieu
Pirali, Olivier
Balcon, Didier
Tchana, Fridolin Kwabia
Boudon, Vincent
Tudorie, M.
Huet, Therese
Cuisset, Arnaud
Roy, Pascale
[J]. WIRMS 2009: 5TH INTERNATIONAL WORKSHOP ON INFRARED MICROSCOPY AND SPECTROSCOPY WITH ACCELERATOR BASED SOURCES, 2010, 1214 : 81 - +
[6] Bunker P.R., 1998, MOL SYMMETRY SPECTRO
[7] OPTICAL MULTIPASS MATRIX SYSTEMS
CHERNIN, SM
BARSKAYA, EG
[J]. APPLIED OPTICS, 1991, 30 (01): : 51 - 58
[8] MICROWAVE-SPECTRUM OF DIMETHYLALLENE EXCITED-STATES AND STRONG CORIOLIS COUPLING
DEMAISON, J
SCHWOCH, D
TAN, BT
RUDOLPH, HD
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 68 (01) : 97 - 113
[9] MICROWAVE SPECTRUM AND INTERNAL ROTATION OF DIMETHYLALLENE
DEMAISON, J
RUDOLPH, HD
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 40 (03) : 445 - &
[10] MICROWAVE-SPECTRUM OF DIMETHYLALLENE CENTRIFUGAL-DISTORTION ANALYSIS
DEMAISON, J
SCHWOCH, D
TAN, BT
RUDOLPH, HD
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 60 (1-3) : 324 - 331

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