Vibrational spectra of crystalline formamide

The infrared and Raman spectra of crystalline formamide and its deuterated homologues, HCOND 2 and DCONH 2, were measured. Normal coordinate treatments were made for the crystals of these molecules and the results show that the intermolecular interactions caused by the hydrogen bonds and the non-bon...

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Bibliographic Details
Published inJournal of molecular spectroscopy Vol. 42; no. 1; pp. 86 - 99
Main Authors Itoh, Koichi, Shimanouchi, Takehiko
Format Journal Article
LanguageEnglish
Published Elsevier Inc 01.01.1972
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Summary:The infrared and Raman spectra of crystalline formamide and its deuterated homologues, HCOND 2 and DCONH 2, were measured. Normal coordinate treatments were made for the crystals of these molecules and the results show that the intermolecular interactions caused by the hydrogen bonds and the non-bonded atom-atom forces can explain most of the band splittings and the lattice vibrations. The splitting of the CH out-of-plane bending vibration is too large to be explained by these forces. The transition dipole interaction was proposed as a possible source of this splitting. Formamide shows a very broad band centered at 195 cm −1. From the temperature dependence of this band, it was concluded that this band is due to the rotational pseudolattice vibrations.
ISSN:0022-2852
1096-083X
DOI:10.1016/0022-2852(72)90146-4