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Volumn 73, Issue 12, 2008, Pages 4398-4414

Photochemistry of N-acetyl-, N-trifluoroacetyl-, N- mesyl-, and N-tosyldibenzothiophene sulfilimines

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; ELECTRONIC STRUCTURE; EXPERIMENTS; INFRARED SPECTROSCOPY; NITROGEN COMPOUNDS; NUMERICAL METHODS; PHOTOLYSIS;

EID: 45249123228     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo702654q     Document Type: Article
Times cited : (50)

References (69)
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    • As seen below, the excited sulfilimine can produce the nitrene and the isocyanate competitively
    • As seen below, the excited sulfilimine can produce the nitrene and the isocyanate competitively.
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    • GC-MS analysis indicated very small quantities of isomeric compounds, also of mass 281. These were interpreted as deriving from small isomeric impurities in the octene.
    • GC-MS analysis indicated very small quantities of isomeric compounds, also of mass 281. These were interpreted as deriving from small isomeric impurities in the octene.
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    • It should also be noted that these are gas-phase calculations. Polar solvents would presumably favor the singlet state by a few kcal/mol
    • It should also be noted that these are gas-phase calculations. Polar solvents would presumably favor the singlet state by a few kcal/mol.
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    • In our experience, simplification of a molecule by reducing the first substituent methyl to a hydrogen atom, as in H2SO for (CH 3)2SO, for example, often leads to surprisingly different computational behavior of the simplified system, compared to the carbon-substituted analogues
    • 2SO, for example, often leads to surprisingly different computational behavior of the simplified system, compared to the carbon-substituted analogues.
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    • The singlet-triplet energy gap is undoubtedly also somewhat dependent on the solvent
    • The singlet-triplet energy gap is undoubtedly also somewhat dependent on the solvent.
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    • The Mulliken bond orders are better behaved with modest basis sets such as 6-31G(d,p). There are other, more sophisticated models of bond order, but these values serve as very adequate comparative and qualitative guides.
    • The Mulliken bond orders are better behaved with modest basis sets such as 6-31G(d,p). There are other, more sophisticated models of bond order, but these values serve as very adequate comparative and qualitative guides.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.