Unusually high pyramidal geometry of the bicyclic amide nitrogen in a complex 7-azabicyclo[2.2.1]heptane derivative: Theoretical analysis using a bottom-up strategy

Journal of Physical Chemistry B

Volumn 109, Issue 23, 2005, Pages 11836-11841

  Alemán, Carlos ^a   Jiménez, Ana I ^b   Cativiela, Carlos ^b   Pérez, Juan J ^a   Casanovas, Jordi ^c  

^a UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^b CSIC   (Spain)

^c UNIVERSITY OF LLEIDA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; CHEMICAL BONDS; CHEMICAL MODIFICATION; COMPLEXATION; CRYSTAL STRUCTURE; DERIVATIVES; MOLECULAR DYNAMICS; PARAFFINS; QUANTUM THEORY; STABILIZATION; SUBSTITUTION REACTIONS;

BICYCLIC AMIDE NITROGEN; INTRAMOLECULAR INTERACTIONS; PYRAMIDALIZATION; VALENCE ANGLES;

NITROGEN COMPOUNDS;

AMIDE; CARBOXYLIC ACID; FUSED HETEROCYCLIC RINGS; N BENZOYL 2 PHENYL 7 AZABICYCLO(2.2.1)HEPTANE 1 CARBOXYLIC ACID; N-BENZOYL-2-PHENYL-7-AZABICYCLO(2.2.1)HEPTANE-1-CARBOXYLIC ACID; NITROGEN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

AMIDES; BICYCLO COMPOUNDS, HETEROCYCLIC; CARBOXYLIC ACIDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; NITROGEN; QUANTUM THEORY;

EID: 21644437069     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050141t     Document Type: Article

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