Research output: Contribution to journal › Article
THE Ν(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, No. 1-3, 2006, p. 11-17.Research output: Contribution to journal › Article
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TY - JOUR
T1 - THE Ν(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
M3 - Article
SP - 11
EP - 17
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
IS - 1-3
ER -
ID: 5151110