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Volumn 118, Issue 35, 1996, Pages 8444-8451

Structures and energetics of some silicon-phosphorus compounds: SiH(m)PH(n), SiH(m)PH(n)SiH(o), and (SiH3)3P. An ab initio molecular orbital study

Author keywords

[No Author keywords available]

Indexed keywords

ORGANOSILICON DERIVATIVE; PHOSPHINE DERIVATIVE;

EID: 0029833271     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja960771w     Document Type: Article
Times cited : (41)

References (64)
  • 1
    • 0011273093 scopus 로고
    • Patai, S., Rappoport, Z., Eds.; J. Wiley: New York
    • Armitage, D. A. In The Silicon - Heteroatom Bond; Patai, S., Rappoport, Z., Eds.; J. Wiley: New York, 1989, p 151; 1991, p 183.
    • (1989) The Silicon - Heteroatom Bond , pp. 151
    • Armitage, D.A.1
  • 41
    • 33748545144 scopus 로고
    • and references cited therein
    • Hariharan, P. C.; Pople, J. A. Theor. Chem. Acta 1973, 28, 213 and references cited therein. Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265 and references cited therein. The 6-31 G(d) and 6-31 G(d,p) basis sets are the same as 6-31G* and 6-31G**, respectively.
    • (1973) Theor. Chem. Acta , vol.28 , pp. 213
    • Hariharan, P.C.1    Pople, J.A.2
  • 42
    • 33645949559 scopus 로고
    • Hariharan, P. C.; Pople, J. A. Theor. Chem. Acta 1973, 28, 213 and references cited therein. Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265 and references cited therein. The 6-31 G(d) and 6-31 G(d,p) basis sets are the same as 6-31G* and 6-31G**, respectively.
    • (1982) J. Chem. Phys. , vol.77 , pp. 3654
    • Francl, M.M.1    Pietro, W.J.2    Hehre, W.J.3    Binkley, J.S.4    Gordon, M.S.5    DeFrees, D.J.6    Pople, J.A.7
  • 43
    • 36549091139 scopus 로고
    • and references cited therein. The 6-31 G(d) and 6-31 G(d,p) basis sets are the same as 6-31G* and 6-31G**, respectively
    • Hariharan, P. C.; Pople, J. A. Theor. Chem. Acta 1973, 28, 213 and references cited therein. Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654. Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265 and references cited therein. The 6-31 G(d) and 6-31 G(d,p) basis sets are the same as 6-31G* and 6-31G**, respectively.
    • (1984) J. Chem. Phys. , vol.80 , pp. 3265
    • Frisch, M.J.1    Pople, J.A.2    Binkley, J.S.3
  • 44
    • 84986439201 scopus 로고
    • Schlegel, H. B. J. Comput. Chem. 1982, 3, 214. Peng, C.; Ayala, P. Y.; Schlegel, H. B.; Frisch, M. J. J. Comput. Chem. 1996, 1, 49.
    • (1982) J. Comput. Chem. , vol.3 , pp. 214
    • Schlegel, H.B.1
  • 50
    • 9544247985 scopus 로고    scopus 로고
    • note
    • 2 are -381.832856, -118.855804, -117.631143, and -923.186150 au, respectively.
  • 53
    • 9544250618 scopus 로고    scopus 로고
    • note
    • 2 and triplet PH are the proper products if one is interested in the double bond strength. For further discussion see refs 43-45.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.