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Volumn 27, Issue 6, 2008, Pages 1092-1097

Evaluation of tin-oxygen bond association by means of ab initio molecular orbital calculations

Author keywords

[No Author keywords available]

Indexed keywords

ENTHALPY; ENTROPY; MOLECULAR ORBITALS;

EID: 41749118960     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om701179j     Document Type: Article
Times cited : (23)

References (55)
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    • 2nd ed, Wiley-VCH: Weinheim, Germany, Chapters 12 and 14
    • (a) Davies, A. G. Organotin Chemistry, 2nd ed.: Wiley-VCH: Weinheim, Germany, 2004; Chapters 12 and 14.
    • (2004) Organotin Chemistry
    • Davies, A.G.1
  • 3
    • 41749091714 scopus 로고    scopus 로고
    • Bloodworth, A. J.; Davies, A. G. In Organotin Compounds; Sawyer, A. K.,. Ed.; Marcel Dekker, INC.: New York, 1971; 1, p 153.
    • (a) Bloodworth, A. J.; Davies, A. G. In Organotin Compounds; Sawyer, A. K.,. Ed.; Marcel Dekker, INC.: New York, 1971; Vol. 1, p 153.
  • 6
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    • Sawyer, A. K, Ed, Marcel Dekker, INC, New York
    • (b) Okawara, R.; Ohara, M. In Organotin Compounds; Sawyer, A. K., Ed.; Marcel Dekker, INC.: New York, 1972; Vol. 2, p 253.
    • (1972) Organotin Compounds , vol.2 , pp. 253
    • Okawara, R.1    Ohara, M.2
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    • 0001595852 scopus 로고
    • (a) Otera, J. Chem. Rev. 1993, 93, 1449.
    • (1993) Chem. Rev , vol.93 , pp. 1449
    • Otera, J.1
  • 36
    • 41749083167 scopus 로고    scopus 로고
    • Two monomeric species are known for distannoxanes with extremely bulky alkyl groups: Edelman, M. A.; Hitchcock, P. B.; Lappert, M. F. J. Chem. Soc., Chem. Commun. 1990, 1116.
    • (a) Two monomeric species are known for distannoxanes with extremely bulky alkyl groups: Edelman, M. A.; Hitchcock, P. B.; Lappert, M. F. J. Chem. Soc., Chem. Commun. 1990, 1116.
  • 38
    • 41749117405 scopus 로고    scopus 로고
    • Gaussian 03, Revision D.01; Frisch, M. J.; et al. Gaussian, Inc.: Wallingford, CT, 2004.
    • Gaussian 03, Revision D.01; Frisch, M. J.; et al. Gaussian, Inc.: Wallingford, CT, 2004.
  • 42
    • 41749107472 scopus 로고    scopus 로고
    • NBO, Version 3.1; Glendening, E. D, Reed, A. E, Carpenter, J. E, Weinhold, F
    • NBO, Version 3.1; Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F.
  • 45
    • 41749116293 scopus 로고    scopus 로고
    • For more detailed data including energies for the monomers and dimers, see the Supporting Information
    • For more detailed data including energies for the monomers and dimers, see the Supporting Information.
  • 46
    • 41749097754 scopus 로고    scopus 로고
    • See Supporting Information Figure S-6
    • See Supporting Information (Figure S-6).
  • 49
    • 33746307900 scopus 로고    scopus 로고
    • Recently, several papers reported that B3LYP fails to calculate accurate energy differences between hydrocarbon isomers: Grimme, S
    • (a) Recently, several papers reported that B3LYP fails to calculate accurate energy differences between hydrocarbon isomers: Grimme, S. Angew. Chem., Int. Ed. 2006, 45, 4460.
    • (2006) Angew. Chem., Int. Ed , vol.45 , pp. 4460
  • 51
    • 0347410664 scopus 로고    scopus 로고
    • A theoretical study of homolytic substitution reactions of acyl radicals at tin has been reported : Matsubara, H. Schiesser, C. H. Org. Biomol. Chem 2003, 1, 4335. They mentioned MP2 and higher levels of theories predict to favor frontside transition states while B3LYP does not.
    • A theoretical study of homolytic substitution reactions of acyl radicals at tin has been reported : Matsubara, H. Schiesser, C. H. Org. Biomol. Chem 2003, 1, 4335. They mentioned MP2 and higher levels of theories predict to favor frontside transition states while B3LYP does not.
  • 52
    • 41749100732 scopus 로고    scopus 로고
    • See Supporting Information Figure S-7
    • See Supporting Information (Figure S-7).
  • 54
    • 41749099810 scopus 로고    scopus 로고
    • See Supporting Information (Tables S-10, S-11, and S-12). It should be noted that no six-membered ring is plausible.
    • See Supporting Information (Tables S-10, S-11, and S-12). It should be noted that no six-membered ring is plausible.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.