Substituent effects on the reduction of 2-alkylcyclohexanones by LiAlH 4: An investigation of conformational equilibria and transition states

Journal of Physical Organic Chemistry

Volumn 24, Issue 3, 2011, Pages 241-248

  Bocca, Cleverson C ^a   Rittner, Roberto ^a   Da Silva, Alan P ^b   Basso, Ernani A ^b  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b STATE UNIVERSITY OF MARINGÁ   (Brazil)

Author keywords

cyclohexanones; electrostatic potential map; reduction by LiAlH4; stereoselectivity; theoretical calculations

Indexed keywords

[CARBONYL; B3LYP/6-31G; CONFORMATIONAL EQUILIBRIUM; CYCLOHEXANONES; ELECTRONIC EFFECTS; ELECTRONIC POTENTIALS; ELECTROSTATIC POTENTIAL MAP; EQUATORIAL ATTACKS; SUBSTITUENT EFFECT; THEORETICAL CALCULATIONS; TRANSITION STATE;

ELECTROSTATICS; ISOMERS; KETONES; ORGANIC COMPOUNDS; STEREOSELECTIVITY;

DENSITY FUNCTIONAL THEORY;

EID: 79951864139     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1734     Document Type: Article

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