volume 19 issue 2 pages 1010-1028

Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study

Publication typeJournal Article
Publication date2017-01-01
scimago Q2
wos Q2
SJR0.698
CiteScore5.3
Impact factor2.9
ISSN14639076, 14639084
PubMed ID:  27942642
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract

Dual bands in IR spectra show that an ensemble of short-living solvatomers creates a dual-maximum distribution of proton positions in a series of strongly OHN-bonded complexes of chloroacetic acid with nitrogen bases in CD2Cl2.

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GOST Copy
Koeppe B. et al. Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study // Physical Chemistry Chemical Physics. 2017. Vol. 19. No. 2. pp. 1010-1028.
GOST all authors (up to 50) Copy
Koeppe B., Pylaeva S. A., Allolio C., Sebastiani D., Nibbering E. T., Denisov G. S., LIMBACH H. G., Tolstoy P. M. Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study // Physical Chemistry Chemical Physics. 2017. Vol. 19. No. 2. pp. 1010-1028.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1039/C6CP06677A
UR - https://doi.org/10.1039/C6CP06677A
TI - Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study
T2 - Physical Chemistry Chemical Physics
AU - Koeppe, Benjamin
AU - Pylaeva, Svetlana A
AU - Allolio, Christoph
AU - Sebastiani, Daniel
AU - Nibbering, Erik T.J.
AU - Denisov, Gleb S.
AU - LIMBACH, H. G.
AU - Tolstoy, Peter M.
PY - 2017
DA - 2017/01/01
PB - Royal Society of Chemistry (RSC)
SP - 1010-1028
IS - 2
VL - 19
PMID - 27942642
SN - 1463-9076
SN - 1463-9084
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2017_Koeppe,
author = {Benjamin Koeppe and Svetlana A Pylaeva and Christoph Allolio and Daniel Sebastiani and Erik T.J. Nibbering and Gleb S. Denisov and H. G. LIMBACH and Peter M. Tolstoy},
title = {Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study},
journal = {Physical Chemistry Chemical Physics},
year = {2017},
volume = {19},
publisher = {Royal Society of Chemistry (RSC)},
month = {jan},
url = {https://doi.org/10.1039/C6CP06677A},
number = {2},
pages = {1010--1028},
doi = {10.1039/C6CP06677A}
}
MLA
Cite this
MLA Copy
Koeppe, Benjamin, et al. “Polar solvent fluctuations drive proton transfer in hydrogen bonded complexes of carboxylic acid with pyridines: NMR, IR and ab initio MD study.” Physical Chemistry Chemical Physics, vol. 19, no. 2, Jan. 2017, pp. 1010-1028. https://doi.org/10.1039/C6CP06677A.