Calculated vs. measured IR characteristics of α-phenylcinnamic acid stereoisomers - Structural consequences

Journal of Molecular Structure

Volumn 482-483, Issue , 1999, Pages 463-467

  Kukovecz, A ^a   Palinko I ^a  

^a UNIVERSITY OF SZEGED   (Hungary)

Author keywords

Phenylcinnamic acid stereoisomers; Hydrogen bonds; Semiempirical methods; Simulation of IR spectra; Trimerisation

Indexed keywords

CINNAMIC ACID DERIVATIVE;

CALCULATION; CONFERENCE PAPER; GEOMETRY; HYDROGEN BOND; INFRARED RADIATION; SIMULATION; STEREOISOMERISM; VIBRATION; X RAY CRYSTALLOGRAPHY;

EID: 0344603556     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00936-3     Document Type: Conference Paper

References (10)

1. L. Leiserowitz, Acta Cryst. B 32 (1976) 775.
2. G.R. Desiraju, Acc. Chem. Res. 29 (1996) 441.
3. T. Steiner, J. Chem. Soc.: Chem. Commun. (1997) 727.
4. K.B.G. Torssell, Natural Product Chemistry: A Mechanistic and Biosynthetic Approach to Secondary Metabolism, John Wiley & Sons, Chichester, New York, Brisbane, Toronto, Singapore, 1989, p. 80.
5. J. Mann, Secondary Metabolism, Oxford Science Publications, Clarendon Press, Oxford, 1987, p. 173.
6. F.H. Allen, J.E. Davies, J.J. Galley, O. Johnson, O. Kennard, C.F. Macrae, E.M. Mitchell, G.F. Mitchell, J.M. Smith, D.G. Watson, J. Chem. Inf. Comp. Sci. 31 (1991) 187.
7. I. Pálinkó, J.T. Kiss, Mikrochimica Acta [Suppl.] 14 (1997) 253.
8. Á. Kukovecz, J.T. Kiss, I. Pálinkó, J. Mol. Struct. 408/409 (1997) 325.
9. L. Fieser, M. Fieser, Experiments in Organic Chemistry, Heath and Co, Boston, 1958, p. 182.
10. HyperChem 4.5, Hypercube Inc., 1994.