Intra- and inter-molecular hydrogen bonds, conformation and vibrational characteristics of hydrazo-group in 5-nitro-2-(2-phenylhydrazinyl)pyridine and its 3-, 4- or 6-methyl isomers

Quantum chemical studies and spectroscopic investigations on 2-amino-3-methyl-5-nitropyridine by density functional theory

“…The asymmetric and symmetric stretching modes of nitro group are expected in the regions 1570-1485 cm −1 and 1370-1320 cm −1 respectively [25]. From literature, the asymmetric modes are found around 1530 cm −1 whereas the symmetric stretching mode are observed around 1350 cm −1 in FTIR as well as in FT-Raman spectrum [35, 36, 37]. The methyl group which is a part of the molecular system acts as an electron donating group and further leads to some shifts in vibrational modes of nitro group [37].…”

Excited states of selected hydrazo-compounds on the example of 5-nitro-2-(2-phenylhydrazinyl)pyridine and its 3-, 4- or 6-methyl isomers

“…The electronic absorption and luminescence spectra of four phenylhydrazo-pyridine derivatives were measured and analysed in terms of DFT quantum chemical calculations. The vibrational properties of hydrazo-bridge bond in these compounds were reported in our previous papers [8,9]. Here the influence of the hydrazo-bond and a solvent on the electronic absorption properties of these compounds has been studied.…”

Growth, structure, spectral and optical properties of semiorganic crystal: Pyridine-1-ium-2-carboxylatehydrogenbromide

“…These highly significant results are obtained from the IR spectral analysis since; these systems are associated with highly polarizable conjugated π electrons. As the electronic polarizability shows a linear relationship with the square root of the product of IR intensities of the concurrent C=C stretching vibrational mode, the effects by other bond stretches are less significant in this regard [28].…”