Theoretical study on the mechanism of formation of cyanate resins

Journal of Organic Chemistry

Volumn 64, Issue 13, 1999, Pages 4742-4748

  Okumoto, Satoshi ^a   Yamabe, Shinichi ^b  

^a PANASONIC CORPORATION   (Japan)

^b NARA UNIVERSITY OF EDUCATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CYANIC ACID; RESIN;

ARTICLE; CATALYSIS; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; REACTION ANALYSIS;

EID: 0033603379     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9900275     Document Type: Article

References (16)

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16. The former stabilizing energy comes from three C-H⋯N hydrogen bonds. In a model methyl cyanate dimer, the hydrogen bond stabilizing energy is -6.2 kcal/mol withB3-LYP/6-311+G(2d, p)//RHF/ 6-311G*. The energy, 3 × (-6.2), is close to -19.1 kcal/mol of RHF/ 3-21G*.