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Volumn 106, Issue 22, 1997, Pages 9111-9121

A photoionization study of trifluoromethanol, CF3OH, trifluoromethyl hypofluorite, CF3OF, and trifluoromethyl hypochlorite, CF3OCl

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000487729     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474017     Document Type: Article
Times cited : (27)

References (68)
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    • and references therein
    • See, for example, T. J. Wallington and J. C. Ball, J. Phys. Chem. 99, 3201 (1995), and references therein.
    • (1995) J. Phys. Chem. , vol.99 , pp. 3201
    • Wallington, T.J.1    Ball, J.C.2
  • 26
    • 5844391178 scopus 로고
    • (c) Chem. Phys. 150, 19 (1991).
    • (1991) Chem. Phys. , vol.150 , pp. 19
  • 46
    • 36449006097 scopus 로고
    • (b) J. Chem. Phys. 100, 4498 (1994);
    • (1994) J. Chem. Phys. , vol.100 , pp. 4498
  • 47
    • 33748766867 scopus 로고
    • (c) 101, 7795 (1994);
    • (1994) J. Chem. Phys. , vol.101 , pp. 7795
  • 48
    • 0000435811 scopus 로고
    • (d) 101, 7975 (1994);
    • (1994) J. Chem. Phys. , vol.101 , pp. 7975
  • 49
    • 0000254614 scopus 로고
    • (e) 101, 10936 (1994).
    • (1994) J. Chem. Phys. , vol.101 , pp. 10936
  • 53
    • 85033320511 scopus 로고    scopus 로고
    • note
    • 3OCl, two versions of the internal energy distribution were developed: one treated the internal rotation as a pseudovibration, and the other treated it as a free internal rotation. In all three cases the difference between the two variations was only minor, and employment of either approach gave similar overall answers. The final fits were performed using the pseudovibrator approach, which appeared to provide a slightly better description of the internal energy distribution than the free rotor model.
  • 54
    • 5844360174 scopus 로고
    • See, for example, B. Ruscic, J. Chem. Phys. 85, 3776 (1986); Modelling of Structure and Properties of Molecules, edited by Z. B. Maksic (Horwood, Chichester, 1987), pp. 221-238.
    • (1986) J. Chem. Phys. , vol.85 , pp. 3776
    • Ruscic, B.1
  • 57
    • 85033305117 scopus 로고    scopus 로고
    • note
    • -1) yields an almost identical 4.060 kcal/mol for the same quantity. The internal energy function used in our fits was constrained to correspond to the available internal energy that results from the hindered rotor approach.
  • 67
    • 85033312301 scopus 로고    scopus 로고
    • note
    • 2), or 27.8 ±1.1 kcal/mol.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.