Physical Chemistry Chemical Physics

, том 19 , издание 2 , страницы 1010-1028

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

Тип публикации: Journal Article

Дата публикации: 2017-01-01

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics

scimago Q2

wos Q2

БС2

SJR: 0.698

CiteScore: 5.3

Impact factor: 2.9

ISSN: 14639076, 14639084

DOI: 10.1039/C6CP06677A

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PubMed ID: 27942642

Physical and Theoretical Chemistry

General Physics and Astronomy

Краткое описание

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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1 цитирование

Левина Елена

20 публикаций, 269 цитирований, 3 рецензии

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Институт общей и неорганической химии им. Н.С. Курнакова РАН

Московский физико-технический институт

ФИЦ «Фундаментальные Основы Биотехнологии» РАН

Области научных интересов

Вычислительная химия

Квантовая химия

Молекулярная динамика

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1 цитирование

Крутин Данил

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9 публикаций, 37 цитирований

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Санкт-Петербургский государственный университет

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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.

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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.

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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 -

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@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}

}

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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.