TITLE

The spectroscopy of hexafluorothioacetone, a blue gas

AUTHOR(S)
Clouthier, Dennis J.; Joo, Duck-Lae
PUB. DATE
May 1997
SOURCE
Journal of Chemical Physics;5/8/1997, Vol. 106 Issue 18, p7479
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Studies the vibrational and electronic spectra of hexafluorothioacetone, a novel blue gas. Ab initio calculations of the vibrational analysis of the spectrum of hexafluorothioacetone; Unconstrained geometry optimization of trifluoroacetyl fluoride (RAF); Geometry optimization of hexafluoroacetone.
ACCESSION #
4212300

 

Related Articles

  • Vibrational interactions of acetonitrile: Doubly vibrationally resonant IR–IR–visible four-wave-mixing spectroscopy. Kwak, Kyungwon; Cha, Sangyob; Cho, Minhaeng; Wright, John C. // Journal of Chemical Physics;9/22/2002, Vol. 117 Issue 12, p5675 

    The origin of the vibrational coupling that was observed between the CC and CN stretching modes of acetonitrile by doubly vibrationally enhanced (DOVE) IR-IR-Vis four-wave-mixing (IIV-FWM) spectroscopy is investigated by various ab initio calculations including DFT(B3LYP), HF, and MP2 methods...

  • An ab initio study of the structure and vibrational spectra of allyl and 1,4-pentadienyl radicals. Szalay, P. G.; Császár, A. G.; Fogarasi, G.; Karpfen, A.; Lischka, H. // Journal of Chemical Physics;7/15/1990, Vol. 93 Issue 2, p1246 

    MCSCF and MR-ACPF calculations on the structure and vibrational frequencies of allyl (2-propenyl) and 1,4-pentadienyl radicals are presented. Using different levels of theory the instability problem in allyl has been investigated in great detail. Based on these conclusions fully optimized...

  • Rotationally resolved spectrum of the C 2Πu←X 2Πg electronic transition of C-4 via resonant two-photon detachment spectroscopy. Zhao, Yuexing; de Beer, Esther; Neumark, Daniel M. // Journal of Chemical Physics;8/15/1996, Vol. 105 Issue 7, p2575 

    The C [SUP2]Π[SUBu]←X [SUP2]Π[SUBg] electronic transition of C[SUB4,SUP-] has been studied by both one-color and two-color resonant two-photon detachment (R2PD) spectroscopy. The one-color spectrum reveals vibrational structure in the excited anion state. Transitions due to...

  • Intermolecular interaction in the OH[sup +]-He and OH[sup +]-Ne open-shell ionic complexes.... Roth, Doris; Nizkorodov, Sergey A. // Journal of Chemical Physics;9/8/1998, Vol. 109 Issue 10, p3841 

    Focuses on photofragmentation spectroscopy, a procedure to record midinfrared spectra of the OH+ -He/Ne open-shell ionic complexes. Importance of the parameters used like vibrational frequency in providing data on intermolecular interaction; Query on the accuracy of the molecular parameters...

  • Zero-order [sup 1]B[sub 1] (n,0,0) vibrational levels of sulfur dioxide. Hegazi, E.; Al-Adel, F. // Journal of Chemical Physics;9/8/1998, Vol. 109 Issue 10, p3928 

    Focuses on the extraction of vibronic bands of the compound SO2 by excitation and measured in a supersonic jet. Classification of five bands obtained based on Franck-Condon patterns; Utilization of a bandwidth dye laser to obtain the bands; Application of the technique coincides with the...

  • New assignment of Fermi resonance spectra. Kellman, Michael E.; Xiao, Lin // Journal of Chemical Physics;10/15/1990, Vol. 93 Issue 8, p5821 

    A new quantum number assignment is proposed for bend–stretch vibrational spectra with 2:1 Fermi resonance. Using a classification based on the catastrophe map and polyad phase spheres of the Fermi resonance fitting Hamiltonian, quantum numbers are assigned corresponding to the...

  • Modeling Vibronic Spectra and Excited States of Polyenes with a Parametric Method. Baranov, V. I.; Solov’ev, A. N. // Optics & Spectroscopy;Nov2002, Vol. 93 Issue 5, p690 

    The structural-dynamic models of excited states and vibronic structure of absorption spectra of linear polyenes (R-(CH=CH)[SUBn]-R, R=H, CH[SUB3], n = 4, 5, 7) are calculated using the parametric method of the theory of vibronic spectra of such molecules. Good agreement is obtained between the...

  • Ab initio calculation and spectroscopic analysis of the intramolecular vibrational redistribution in 1,1,1,2-tetrafluoroiodoethane CF[sub 3]CHFI. Pochert, Jo¨rg; Quack, Martin; Stohner, Ju¨rgen; Willeke, Martin // Journal of Chemical Physics;8/15/2000, Vol. 113 Issue 7 

    We report a new mechanism for intramolecular vibrational redistribution (IVR) in CF[sub 3]CHFI which couples the CH chromophore vibrations through a strong Fermi resonance to the formal CF stretching normal mode (a heavy atom frame mode) involving the trans F-atom across the CC bond. The...

  • Manifestation of Spatial Modulation in the Vibration Spectra of (N(CH3)4)2CuCl4 Crystals. Kapustyanyk, V.B.; Batyuk, A. Ya. // Journal of Applied Spectroscopy;May/Jun2004, Vol. 71 Issue 3, p387 

    The specific manifestations of the spatial modulation in the vibration spectra of (N(CH3)4)2CuCl4 crystals have been investigated. It has been shown that because of the narrow temperature range of existence of the incommensurate phase and the complexity of the spectra being analyzed, reliable...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics