REZUL'TATY KVANTOVO-HIMICHESKIH RASCHETOV V INTERPRETACII REZUL'TATOV BROMIROVANIYA 4-ZAMESCHENNYH2,6-DI- TRET.BUTILFENOLOV
Abstract and keywords
Abstract (English):
By calculations in approach РМ 6 4-4-substituted 2,6-di-tert.butylphenol, phenolates and 4-4-substituted 4-brome-2,6-di-tert.butylcyclohexa-2,5- (3,5)-dien-1 are calculated energy of intramolecular steric interaction with participation it is tertiary – butyl groups and geometrical parametres of structures. The data of calculations is used for interpretation of results of bromination 2,6-di-tert.butylphenol and rearrangements of 4-brome-2,6-di-tert.butylcyclohexa-2,5- (3,5)-dien-1.in 4-brome- 2,6- di-tert.butylphenol

Keywords:
Расчет, моpac 2009, приближение РМ6, структура, 2,6-ди-трет.бутилфенол, феноляты, 4-Х-замещенные 4-бром-2,6-ди-трет.бутилциклогекса-2,5-(3,5)-диен-1-оны, Calculation, моpac 2009, structure, 2,6-di-tert.butylphenol, 4-brome-2,6-di-tert.butylcyclohexa-2,5- (3,5)-dien-1
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