Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Rate constant of vibrational redistribution in molecules using adiabatic approximation model.

S H Lin1, Z Xing-Guo, Q Zhi-Ding

  • 1Department of Chemistry, Arizona State University, Tempe, Arizona 85287.

Proceedings of the National Academy of Sciences of the United States of America
|February 1, 1982
PubMed
Summary

This study uses an adiabatic approximation model to calculate rate constants for vibrational energy transfer. Molecular rotation significantly impacts these rates, particularly through Coriolis coupling.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Molecular mechanisms in inflammation and stress.

Science in progress·2014
Same author

High-throughput GaAs PIN electrooptic modulator with a 3-dB bandwidth of 9.6 GHz at 1.3 microm.

Applied optics·2010
Same author

Gitelman syndrome: first report of genetically established diagnosis in Greece.

Hippokratia·2010
Same author

Pressure and reactivity of proteins, with particular reference to invertase.

The Journal of physical chemistry·2010
Same author

Catheter-related bacteraemia and infective endocarditis caused by Kocuria species.

Clinical microbiology and infection : the official publication of the European Society of Clinical Microbiology and Infectious Diseases·2010
Same author

Clinical and genotypic characteristics of extensively drug-resistant and multidrug-resistant tuberculosis.

European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology·2010

Area of Science:

  • Chemical Physics
  • Molecular Dynamics
  • Quantum Mechanics

Background:

  • Vibrational energy transfer is crucial in chemical reactions and molecular processes.
  • Understanding rate constants requires detailed models of molecular interactions.
  • Previous models did not fully account for rotational effects or specific coupling mechanisms.

Purpose of the Study:

  • To calculate rate constants for vibrational redistribution using a proposed adiabatic approximation model.
  • To investigate the contributions of different coupling mechanisms (Born-Oppenheimer, anharmonic, Coriolis) to vibrational energy transfer rates.
  • To demonstrate the influence of molecular rotation on these rate constants.

Main Methods:

  • Application of the adiabatic approximation model for vibrational redistribution.

Related Experiment Videos

  • Detailed calculations of various rate constants based on different coupling mechanisms.
  • Comparison of rate constants obtained through the Born-Oppenheimer mechanism (with non-Condon correction) and the anharmonic mechanism.
  • Analysis of the effect of Coriolis coupling on rate constants due to molecular rotation.

    • Main Results:

    • The rate constant from the Born-Oppenheimer mechanism, corrected by the non-Condon approximation, is of the same order of magnitude as that from the anharmonic mechanism.
    • The adiabatic approximation model provides a framework for detailed rate constant calculations.
    • Molecular rotation, specifically via Coriolis coupling, has a significant effect on the calculated rate constants.

    Conclusions:

    • The proposed adiabatic approximation model effectively calculates rate constants for vibrational redistribution.
    • Both Born-Oppenheimer and anharmonic mechanisms contribute significantly to vibrational energy transfer rates.
    • Molecular rotation plays a critical role in determining the dynamics of vibrational energy transfer, highlighting the importance of Coriolis coupling.