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Theoretical study of the CC stretching vibrations in linked polyene chains: Nystatin

1988; Elsevier BV; Volume: 144; Issue: 5-6 Linguagem: Inglês

10.1016/0009-2614(88)87292-0

1873-4448

Francesco Zerbetto, Marek Z. Zgierski,

Conducting polymers and applications

It is shown from a simple model and by quantum-chemical calculations that the observed Raman fundamentals of nystatin in the range of 1550–1650 cm−1 belong to four CC stretching vibrations of mixed ag and bu symmetry of the octatetraene fragment of the molecule. A simple explanation of the variation of the relative intensities of these fundamentals in different environments is presented which does not require the assumption of an unusually strong participation of the CO stretching vibration in the Raman spectrum.