Modeling Vibrational Structure Using Harmonically-Coupled Morse Oscillators: a Global Description of the C-H Stretches in Methyl Radical and its Deuterated Isotopomers

Details Modeling Vibrational Structure Using Harmonically-Coupled Morse Oscillators: a Global Description of the C-H Stretches in Methyl Radical and its Deuterated Isotopomers Modeling Vibrational Structure Using Harmonically-Coupled Morse Oscillators: a Global Description of the C-H Stretches in Methyl Radical and its Deuterated Isotopomers

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confemg03r&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Physics

Infrared/Raman

Scientific paper

Methyl radical has been the subject of numerous theoretical and experimental studies over the past 50 years, including several studies fitting force constants to experimental data. Only recently have high-resolution gas phase data become available for most of the stretches of all four isotopic species: CH_3, CH_2D, CHD_2, and CD_3. A harmonically-coupled Morse oscillator model, developed by Halonen and Child for tetrahedral molecules, is used to describe the set of high resolution data for the first time. In this picture, each C-H (or C-D) stretch is modeled as a Morse oscillator and the interactions between the local mode stretches are modeled as harmonic interactions. The C-H and C-D stretches differ only by analytic G-matrix element terms thus making this a three parameter model that describes each of the three stretches for all four isotopic species, where the parameters are the Morse oscillator dissociation energy (D), the range parameter (a), and the harmonic potential coupling constant.
L. Halonen and M. S. Child Mol. Phys. 46, 239 (1982).

Affiliated with

Also associated with

No associations

Rating

Modeling Vibrational Structure Using Harmonically-Coupled Morse Oscillators: a Global Description of the C-H Stretches in Methyl Radical and its Deuterated Isotopomers does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Modeling Vibrational Structure Using Harmonically-Coupled Morse Oscillators: a Global Description of the C-H Stretches in Methyl Radical and its Deuterated Isotopomers, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Modeling Vibrational Structure Using Harmonically-Coupled Morse Oscillators: a Global Description of the C-H Stretches in Methyl Radical and its Deuterated Isotopomers will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-999627