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Volumn 100, Issue 19, 1996, Pages 7765-7771

Investigating the C-Cl antibonding character in the ππ* excited state of vinyl, allyl, and propargyl chloride: Emission spectra and ab initio calculations

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Indexed keywords


EID: 33749101840     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9531063     Document Type: Article
Times cited : (34)

References (30)
  • 8
    • 33749097545 scopus 로고    scopus 로고
    • Private communication of work in progress on allyl chloride
    • Lin, S. Private communication of work in progress on allyl chloride.
    • Lin, S.1
  • 12
    • 84975602249 scopus 로고
    • For information on sum frequency generation in BBO, see Glab, W. L.; Hessler, J. P. Appl. Opt. 1987, 26, 3181.
    • (1987) Appl. Opt. , vol.26 , pp. 3181
    • Glab, W.L.1    Hessler, J.P.2
  • 25
    • 33749091582 scopus 로고    scopus 로고
    • Orbitals were tabulated for visualization on a CAChe Scientific, Inc. workstation, Version 3.5
    • Orbitals were tabulated for visualization on a CAChe Scientific, Inc. workstation, Version 3.5.
  • 26
    • 33749113674 scopus 로고    scopus 로고
    • Breaking the plane of symmetry results in the energy lowering of molecular orbitals 19 and 20 which combine to give σ* character along the C-Cl bond. At nonplanar geometries these orbitals become orbitals 18 and 19
    • Breaking the plane of symmetry results in the energy lowering of molecular orbitals 19 and 20 which combine to give σ* character along the C-Cl bond. At nonplanar geometries these orbitals become orbitals 18 and 19.
  • 29
    • 33749100237 scopus 로고    scopus 로고
    • This assertion can be proven by letting these terms equal zero in eq 1, in which case the unperturbed energies α and γ will result
    • This assertion can be proven by letting these terms equal zero in eq 1, in which case the unperturbed energies α and γ will result.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.