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volume 26 issue 16 pages 5043

Spectroscopic identification of hydrogen bond vibrations and quasi-isostructural polymorphism in n-salicylideneaniline

Eugene A Goremychkin 2
Janusz Waliszewski 3
Mikhail V. Vener 4, 5
P Lipkowski 6
Publication typeJournal Article
Publication date2021-08-20
scimago Q1
wos Q2
SJR0.865
CiteScore8.6
Impact factor4.6
ISSN14203049
Organic Chemistry
Drug Discovery
Physical and Theoretical Chemistry
Pharmaceutical Science
Molecular Medicine
Analytical Chemistry
Chemistry (miscellaneous)
Abstract
The ortho-hydroxy aryl Schiff base 2-[(E)-(phenylimino)methyl]phenol and its deutero-derivative have been studied by the inelastic incoherent neutron scattering (IINS), infrared (IR) and Raman experimental methods, as well as by Density Functional Theory (DFT) and Density-Functional Perturbation Theory (DFPT) simulations. The assignments of vibrational modes within the 3500–50 cm−1 spectral region made it possible to state that the strong hydrogen bond in the studied compound can be classified as the so-called quasi-aromatic bond. The isotopic substitution supplemented by the results of DFT calculations allowed us to identify vibrational bands associated with all five major hydrogen bond vibrations. Quasi-isostructural polymorphism of 2-[(E)-(phenylimino)methyl]phenol (SA) and 2-[(E)-(phenyl-D5-imino)methyl]phenol (SA-C6D5) has been studied by powder X-ray diffraction in the 20–320 K temperature range.
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Hetmańczyk Ł. et al. Spectroscopic identification of hydrogen bond vibrations and quasi-isostructural polymorphism in n-salicylideneaniline // Molecules. 2021. Vol. 26. No. 16. p. 5043.
GOST all authors (up to 50) Copy
Hetmańczyk Ł., Goremychkin E. A., Waliszewski J., Vener M. V., Lipkowski P., Tolstoy P. M., Filarowski A. Spectroscopic identification of hydrogen bond vibrations and quasi-isostructural polymorphism in n-salicylideneaniline // Molecules. 2021. Vol. 26. No. 16. p. 5043.
RIS |
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RIS Copy
TY - JOUR
DO - 10.3390/molecules26165043
UR - https://doi.org/10.3390/molecules26165043
TI - Spectroscopic identification of hydrogen bond vibrations and quasi-isostructural polymorphism in n-salicylideneaniline
T2 - Molecules
AU - Hetmańczyk, Ł.
AU - Goremychkin, Eugene A
AU - Waliszewski, Janusz
AU - Vener, Mikhail V.
AU - Lipkowski, P
AU - Tolstoy, Peter M.
AU - Filarowski, Alexander
PY - 2021
DA - 2021/08/20
PB - MDPI
SP - 5043
IS - 16
VL - 26
PMID - 34443632
SN - 1420-3049
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2021_Hetmańczyk,
author = {Ł. Hetmańczyk and Eugene A Goremychkin and Janusz Waliszewski and Mikhail V. Vener and P Lipkowski and Peter M. Tolstoy and Alexander Filarowski},
title = {Spectroscopic identification of hydrogen bond vibrations and quasi-isostructural polymorphism in n-salicylideneaniline},
journal = {Molecules},
year = {2021},
volume = {26},
publisher = {MDPI},
month = {aug},
url = {https://doi.org/10.3390/molecules26165043},
number = {16},
pages = {5043},
doi = {10.3390/molecules26165043}
}
MLA
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MLA Copy
Hetmańczyk, Ł., et al. “Spectroscopic identification of hydrogen bond vibrations and quasi-isostructural polymorphism in n-salicylideneaniline.” Molecules, vol. 26, no. 16, Aug. 2021, p. 5043. https://doi.org/10.3390/molecules26165043.