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Volumn 41, Issue 1, 1998, Pages 91-96

Ab initio studies on vibrational spectra of XSO2NCO (X=F, Cl): Harmonic force fields and frequency assignments

Author keywords

Ab initio calculation; Chlorosulfonyl isocyanate; Fluorosulfonyl isocyanate; Vibrational spectra

Indexed keywords


EID: 0346836643     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02875563     Document Type: Article
Times cited : (10)

References (10)
  • 1
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  • 2
    • 0000597894 scopus 로고
    • Determination of the molecular structrure of sulfonyl chloride isocyanate using microwave spectroscopy
    • Jo, O. L., Graybeal, J. D., Lovas, F. J. et al., Determination of the molecular structrure of sulfonyl chloride isocyanate using microwave spectroscopy, J. Mol. Spectrosc., 1992, 152: 261.
    • (1992) J. Mol. Spectrosc. , vol.152 , pp. 261
    • Jo, O.L.1    Graybeal, J.D.2    Lovas, F.J.3
  • 3
    • 0001572821 scopus 로고
    • Structrue and conformation of chlorosulfonylisocyanate and cyclopropylisocyanate
    • Nguyen, M. T., Hajnal, M. R., Vanquickenborne, L. G. et al., Structrue and conformation of chlorosulfonylisocyanate and cyclopropylisocyanate, J. Chem. Soc. Faraday. Trans., 1993, 89: 2381.
    • (1993) J. Chem. Soc. Faraday. Trans. , vol.89 , pp. 2381
    • Nguyen, M.T.1    Hajnal, M.R.2    Vanquickenborne, L.G.3
  • 4
    • 0043181114 scopus 로고
    • Infrared and Raman spectra of chlorosulfonyl isocyanate
    • Kanesaka, I., Kawai, K., Infrared and Raman spectra of chlorosulfonyl isocyanate, Bull. Chem. Soc. Jpn., 1970, 43: 3298.
    • (1970) Bull. Chem. Soc. Jpn. , vol.43 , pp. 3298
    • Kanesaka, I.1    Kawai, K.2
  • 5
    • 0002279115 scopus 로고
    • 2NCO FT-IR, preresonance Raman effect, force field and theoretical calculations
    • 2NCO FT-IR, preresonance Raman effect, force field and theoretical calculations, J. Mol. Struct., 1994, 323: 29.
    • (1994) J. Mol. Struct. , vol.323 , pp. 29
    • Alvarez, R.M.S.1    Cutin, E.H.2    Mack, H.G.3
  • 6
    • 0000270344 scopus 로고
    • Conformational and bond properties of chlorosulfonyl isocyanate
    • Alvarez, R. M. S., Cutin, E. H., Della Vedova, C. O., Conformational and bond properties of chlorosulfonyl isocyanate, Spectrochimica Acta, 1995, 51A: 555.
    • (1995) Spectrochimica Acta , vol.51 A , pp. 555
    • Alvarez, R.M.S.1    Cutin, E.H.2    Della Vedova, C.O.3
  • 7
    • 0020843873 scopus 로고
    • Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants, scaled quantum mechanical (SQM) force field for glyoxal, acrolein, butadine, formaldehyde and ethylene
    • Pulay, P., Fogarasi, G., Pongor, G. et al., Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants, scaled quantum mechanical (SQM) force field for glyoxal, acrolein, butadine, formaldehyde and ethylene, J. Am. Chem. Soc., 1983, 105: 7037.
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 7037
    • Pulay, P.1    Fogarasi, G.2    Pongor, G.3
  • 10
    • 0002667857 scopus 로고
    • Raman and infrared spectra, conformational stability, barriers to internal rotation, and ab initio calculations of trifloroacetyl isocyanate
    • Durig, J. R., Guirgis, G. A., Krutules, K. A., Raman and infrared spectra, conformational stability, barriers to internal rotation, and ab initio calculations of trifloroacetyl isocyanate, J. Mol. Struct., 1994, 328: 55.
    • (1994) J. Mol. Struct. , vol.328 , pp. 55
    • Durig, J.R.1    Guirgis, G.A.2    Krutules, K.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.