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J-GLOBAL ID：201802288971994487   Reference number：18A0145168

A natural bond orbital analysis of aryl-substituted polyfluorinated carbanions: negative hyperconjugation

アリール置換ポリふっ素化カルバニオンの自然結合軌道解析:負の超共役【Powered by NICT】

Author (4)： Suenaga Masahiko (Department of Chemistry, Graduate School of Science, Kyushu University, Fukuoka, Japan) ,  Nakata Kazuhide (Science Research Center, Hosei University, Tokyo, Japan) ,  Abboud Jose-Luis M. (Institute for Materials Chemistry and Engineering, Kyushu University, Fukuoka, Japan) ,  Mishima Masaaki (Institute for Materials Chemistry and Engineering, Kyushu University, Fukuoka, Japan)
Material： Journal of Physical Organic Chemistry  (J Phys Org Chem)
Volume： 31  Issue： 1  Page： ROMBUNNO.3721  Publication year： 2018 
JST Material Number： T0676A  ISSN： 0894-3230  CODEN： JPOCEE  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Aryl-substituted polyfluorinat...

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Thesaurus term： *fluorination ,  acceptor ,  *carbanion ,  donor ,  cleavage reaction ,  double bond ,  lone pair ,  *hyperconjugation ,  fluorine ,  acidity (degree) ,  interaction ,  Carbon ,  perturbation ,  substituent ,  interaction energy ,  *NBO analysis

Author keywords (4)： donor/acceptor NBO interaction energy ,  natural bond orbital analysis ,  negative hyperconjugation ,  polyflourinated carbanions

JST classification (2)： Aliphatic halogen compounds  (CF03050P) ,  Electronic structure of molecules  (BH05010Q)

Terms in the title (5)： アリール置換 ,  ふっ素化 ,  カルバニオン ,  自然結合軌道解析 ,  超共役