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Volumn 110, Issue 4, 1999, Pages 1979-1989

Intramolecular vibrational energy redistribution and conformational isomerization in vibrationally excited 2-fluoroethanol: High-resolution, microwave-infrared double-resonance spectroscopy investigation of the asymmetric -CH2(F) stretch near 2980 cm-1

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; ELECTRONIC DENSITY OF STATES; INFRARED SPECTROSCOPY; ISOMERIZATION; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHASE TRANSITIONS; SPECTRUM ANALYSIS;

EID: 0033593151     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477975     Document Type: Article
Times cited : (33)

References (70)
  • 28
    • 0033593152 scopus 로고    scopus 로고
    • following paper
    • B. H. Pate, J. Chem. Phys. 110, 1990 (1999), following paper.
    • (1999) J. Chem. Phys. , vol.110 , pp. 1990
    • Pate, B.H.1
  • 44
    • 85034551399 scopus 로고    scopus 로고
    • -1 is calibrated using precisely known ground state combination differences in the infrared spectrum
    • -1 is calibrated using precisely known ground state combination differences in the infrared spectrum.
  • 49
    • 85034564237 scopus 로고    scopus 로고
    • The rotational spectrum was fit using the program developed by A. G. Maki at the NIST (private communication)
    • The rotational spectrum was fit using the program developed by A. G. Maki at the NIST (private communication).
  • 51
    • 85034537726 scopus 로고    scopus 로고
    • See AIP Document No. E-PAPS-JCPSA6-110-001904 for a listing of observed infrared and microwave transitions. E-PAPS document files may be retrieved free of charge from our FTP server (http://www.aip.org/epaps/ epaps.html) or from ftp.aip.org in the directory /epaps/. For further information, e-mail: paps@aip.org or fax: 516-576-2223.
  • 53
    • 85034550227 scopus 로고    scopus 로고
    • Because we observe no obvious separation between the IVR multiplets from the two bright states, we expect that the lifetimes are at most a factor of 2 too short
    • Because we observe no obvious separation between the IVR multiplets from the two bright states, we expect that the lifetimes are at most a factor of 2 too short.
  • 55
    • 85034531092 scopus 로고    scopus 로고
    • note
    • Technically, we are assigning the torsional states only as G (gauche) or T (trans) (i.e., only the behavior with respect to the C-C torsion). It is not known whether the structures other than the Gg′ and Tt are stable. Spectroscopic evidence exists only for a stable Gg′ and Tt structure so we have used these labels for the torsional states.
  • 58
    • 85034562523 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Virginia, August
    • The details of this calculation can be found in David A McWhorter, Ph.D. Thesis, University of Virginia, August 1998.
    • (1998)
    • McWhorter, D.A.1
  • 60
    • 85034540678 scopus 로고    scopus 로고
    • note
    • This method for calculating the states density is equivalent to the formula ρ = (N - 1)/ΔE, where N is the number of components in the IVR multiplet and ΔE is the energy separation between the first and last eigenstates in the IVR multiplet.
  • 62
    • 85034539911 scopus 로고    scopus 로고
    • note
    • 31 rotational levels of the ground state is 81 MHz.
  • 63
    • 85034560483 scopus 로고    scopus 로고
    • note
    • 21) interfering in the infrared spectrum. However, the b-type transition dipole moment is approximately ten times weaker than the c-type transition dipole moment.
  • 65
    • 85034555484 scopus 로고    scopus 로고
    • note
    • -1. The cross-coupling terms are chosen from a Gaussian distribution with a mean of zero and a variable standard deviation. The infrared spectrum is calculated by selecting a single Gg′ state as the bright state. A signal to noise cutoff of 200:1 is used to filter the calculated spectrum, better simulating an experimental spectrum. The normalized level spacing distribution for a set of 30 different samples of the Hamiltonian is compared to the experimental distribution.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.