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THE v(OH/OD) BAND SHAPE OF STRONG HYDROGEN BONDED DIMERS OF PHOSPHINIC ACIDS. PHENOMENOLOGY AND FORMATION MODELS. / Asfin, R.E.; Denisov, G.S.; Tokhadze, K.G.

In: Journal of Molecular Structure, Vol. 790, No. 1-3, 2006, p. 11-17.

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@article{593772e6db5744dd85a306a35abe86e4,
title = "THE v(OH/OD) BAND SHAPE OF STRONG HYDROGEN BONDED DIMERS OF PHOSPHINIC ACIDS. PHENOMENOLOGY AND FORMATION MODELS",
abstract = "The infrared spectra of phosphinic acid R2POOH dimers (R=CH3, CH2Cl, C6H5) have been studied in CCl4 and CH2Cl2 solutions (T=300 K). The infrared spectra of deuterated R2POOD dimers (R=CH3, CH2Cl) were also studied in the gas phase (T=400-550 K) and solid state (T=100-300 K). They are compared with previously studied spectra of the light (non-deuterated) dimers in the gas phase, in the solid state and in low-temperature argon matrices (T=12-30 K) in the 4000-400 cm-1 spectral region. It is found that the strong and broad ν(OH) dimer bands have similar shapes, nearly equal values of bandwidth and low-frequency shift, and possess the Hadzi ABC structure irrespective of the type of acid, significant differences of dimerization enthalpies, influence of solvent, the type of H-bonded complexes (cyclic dimers in the gas phase, in solutions, and in inert matrices, and infinite chains in the solid state), and temperature in the range 12-600 K. Isotopic ratio of the first moments of light and deuterated acid bands has",
author = "R.E. Asfin and G.S. Denisov and K.G. Tokhadze",
year = "2006",
doi = "10.1016/j.molstruc.2006.03.037",
language = "English",
volume = "790",
pages = "11--17",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",
number = "1-3",

}

RIS

TY - JOUR

T1 - THE v(OH/OD) BAND SHAPE OF STRONG HYDROGEN BONDED DIMERS OF PHOSPHINIC ACIDS. PHENOMENOLOGY AND FORMATION MODELS

AU - Asfin, R.E.

AU - Denisov, G.S.

AU - Tokhadze, K.G.

PY - 2006

Y1 - 2006

N2 - The infrared spectra of phosphinic acid R2POOH dimers (R=CH3, CH2Cl, C6H5) have been studied in CCl4 and CH2Cl2 solutions (T=300 K). The infrared spectra of deuterated R2POOD dimers (R=CH3, CH2Cl) were also studied in the gas phase (T=400-550 K) and solid state (T=100-300 K). They are compared with previously studied spectra of the light (non-deuterated) dimers in the gas phase, in the solid state and in low-temperature argon matrices (T=12-30 K) in the 4000-400 cm-1 spectral region. It is found that the strong and broad ν(OH) dimer bands have similar shapes, nearly equal values of bandwidth and low-frequency shift, and possess the Hadzi ABC structure irrespective of the type of acid, significant differences of dimerization enthalpies, influence of solvent, the type of H-bonded complexes (cyclic dimers in the gas phase, in solutions, and in inert matrices, and infinite chains in the solid state), and temperature in the range 12-600 K. Isotopic ratio of the first moments of light and deuterated acid bands has

AB - The infrared spectra of phosphinic acid R2POOH dimers (R=CH3, CH2Cl, C6H5) have been studied in CCl4 and CH2Cl2 solutions (T=300 K). The infrared spectra of deuterated R2POOD dimers (R=CH3, CH2Cl) were also studied in the gas phase (T=400-550 K) and solid state (T=100-300 K). They are compared with previously studied spectra of the light (non-deuterated) dimers in the gas phase, in the solid state and in low-temperature argon matrices (T=12-30 K) in the 4000-400 cm-1 spectral region. It is found that the strong and broad ν(OH) dimer bands have similar shapes, nearly equal values of bandwidth and low-frequency shift, and possess the Hadzi ABC structure irrespective of the type of acid, significant differences of dimerization enthalpies, influence of solvent, the type of H-bonded complexes (cyclic dimers in the gas phase, in solutions, and in inert matrices, and infinite chains in the solid state), and temperature in the range 12-600 K. Isotopic ratio of the first moments of light and deuterated acid bands has

U2 - 10.1016/j.molstruc.2006.03.037

DO - 10.1016/j.molstruc.2006.03.037

M3 - Article

VL - 790

SP - 11

EP - 17

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

IS - 1-3

ER -

ID: 5014671