LOW-TEMPERATURE HIGH-RESOLUTION INFRARED SPECTRUM OF ETHANE-1D, C2H5D: ROTATIONAL ANALYSIS OF THE _17 BAND NEAR 805 cm_1using ERHAM.
Groner, Peter
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https://hdl.handle.net/2142/79487
Description
Title
LOW-TEMPERATURE HIGH-RESOLUTION INFRARED SPECTRUM OF ETHANE-1D, C2H5D: ROTATIONAL ANALYSIS OF THE _17 BAND NEAR 805 cm_1using ERHAM.
Author(s)
Groner, Peter
Contributor(s)
Smith, Mary Ann H.
Mantz, Arlan
Brown, Linda
Sung, Keeyoon
Pearson, John
Drouin, Brian
Daly, Adam M.
Issue Date
23-Jun-15
Keyword(s)
Large amplitude motions, internal rotation
Abstract
The high-resolution infrared spectrum of gaseous ethane-d$_{1}$ at 130 K shows transitions that are split into A and E components due to the interaction of overall rotation with the internal rotation of the chem{CH_3} group. An analysis of the spectrum from 680 to 900 wn with an expanded version of the program ERHAM footnote{P. Groner, textit{J. Chem. Phys.} textbf{107} 4483 (1997)}$^{,}$footnote{P. Groner, textit{J. Mol. Spectrosc.} textbf{278} 52 (2012)} is in progress to assign the bands at E(nub{17}) = 805 wn and E(nub{11}) = 715 wn. A discussion of the interactions among the fundamental levels of nub{17} and nub{11} with overtone levels of nub{18} and the(chem{CH_3} torsion) will be given. ERHAM has been and continues to be very successful in the analysis of pure the rotational spectra of molecules containing internal rotation and the vibrational spectrum of chem{C_2H_5D} serves as an excellent system to test the extension of the program.
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