Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • 1985-1989  (2)
Source
Material
Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    CH and CD overtone decay times in partially deuterated benzenes (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 5312-5316 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A recently developed classical model for the simulation of overtone dynamics in C6H6 and C6D6, is used to evaluate estimates for the decay times of CH and CD overtones in all deuterated benzenes for which experimental linewidths have been measured. The calculated and inferred decay times are compared for C6H6, C6H5D, p-C6H2D4, C6HD5, and C6D6. Reasonable quantitative agreement between theory and experiment is reported and marked qualitative trends are reproduced.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453648
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    A classical trajectory study of the high CH and CD overtones in benzene and perdeuterobenzene (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 6871-6881 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The intermolecular vibrational energy redistribution in high overtones of CH(D) stretching modes in benzene and perdeuterobenzene has been studied using classical trajectories. Using the exact kinetic energy and the best available potential energy surface for planar benzene, the rapid decay of these local modes is calculated to be in reasonable quantitative agreement with experimental lifetimes. The long time dynamics of benzene is found to be characterized by periodic energy transfer between CH stretching local modes via a 2:1 Fermi resonance with normal ring modes. Preferential energy transfer between para CH local modes is observed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452386
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...