DFT study of the substituent cross-interaction effects on the conformation of substituted N-benzylideneanilines - Models of liquid crystal forming compounds: Use of 13C NMR chemical shift of the C{double bond, long}N Carbon as a tool to predict the conformation of the molecule

Journal of Molecular Structure: THEOCHEM

Volumn 815, Issue 1-3, 2007, Pages 95-104

  Neuvonen, Helmi ^a   Neuvonen, Kari ^a   Koch, Andreas ^b   Kleinpeter, Erich ^b  

^a UNIVERSITY OF TURKU   (Finland)

^b UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Benzylideneanilines; Conformation; Dihedral angle; Dual substituent parameter treatment; Electron delocalization; Imines; Schiff bases; Substituent cross interaction; Substituent effect

Indexed keywords

EID: 34250882074     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.03.023     Document Type: Article

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