43380-64-9Relevant articles and documents
A MATRIX INFRARED STUDY OF MONOMERIC FORMAMIDE
Raesaenen, Markku
, p. 275 - 286 (1983)
Infrared spectra of formamide have been recorded between 4000 and 200 cm-1 in Ar, Kr, Xe, N2, and CO matrices.The fundamentals of monomeric formamide are assigned, the assignment of the low-frequency bands differing from the presented previously.The spectra of the deuterated species DCONH2, HCOND2 and DCOND2 in Ar matrices were also recorded and the fundamentals are assigned. "Complexation" of formamide with CO or N2 is found to shift the NH2 rocking and torsional bands in particular.The complexation of formamide with nitrogen, especially its influence on the NH2 torsional band, has been studied with the aid of ab initio 4-31G calculations.Three of the lowest energy configurations of the 1:1 complexes are presented.In rare-gas matrices, two overtone bands of the very intense torsional band have been found and these indicate only a very slight mechanical anharmonicity in this motion.The large difference between the torsional frequencies of the deuterated compounds HCONHD and HCONDH is discussed.
Vibrational spectra in the carbonyl stretching region of isotopomers of formamide in the gaseous and liquid states
Mortensen, A.,Nielsen, O. Faurskov
, p. 1345 - 1354 (1995)
IR spectra in the carbonyl stretching region of six isotopomers of formamide (HCONH2, HCOND2, DCONH2, DCOND2, H13CONH2, and HCO15NH2) in the gaseous state at a temperature of 120 deg C are presented.From the frequency shifts observed it is concluded that the carbonyl stretching band is largely a stretching of the carbonyl group with only minor contributions from the CN stretching and CH bending vibrations.Calculations with a known force field confirm these results.However, some discrepancies between the observed and calculated frequencies are observed.This is most likely due to a Fermi resonance in some of the isotopomers.Changing the gas phase values of the CO and CN stretching diagonal force constants only gives satisfactory agreement between the calculated frequencies and the observed frequencies in the liquid state.Upon heating, the Raman carbonyl bands of neat liquid HCONH2, neat liquid HCOND2, and an equimolar mixture of the two shift to different extents.This is most likely due to differences in the carbonyl stretching normal coordinate. - Keywords: Carbonyl; Formamide; Gas; Isotopomer; Liquid