IR spectra and hydrogen bond energies of crystalline acid salts of carboxylic acids

M. Sh Rozenberg

doi:10.1016/0584-8539(96)01703-5

IR spectra and hydrogen bond energies of crystalline acid salts of carboxylic acids

M. Sh Rozenberg^*

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

44 Scopus citations

Abstract

"Absolute" intensities of the v_OH IR bands of acid salts with linear, short and strong hydrogen bonds have been measured. The interrelations of spectral parameters, namely the intensification of the v_OH as ΔA ^1/2 ≡ A^1/2₁₁ - A^1/2_O, the displacement of the v_OH band as Δv = v_O - v_H and the increased frequency of the out-of-plane vibration τ_OH as Δτ² = τ²_H - τ²_O (_O and _H denote spectral parameters of free and bonded OH groups respectively) were found to be close to those previously determined for the H-bond spectra in solutions. An estimation of the H-bond energy has been made according to logansen's correlations between spectral and thermodynamic parameters. An anomalous isotopic intensity ratio was found in the spectra of KH(D)C₂O₄ for the τ_OH band (A_OH/A_OD = 0.36) as well as for the v_OH band (A_OH/A_OD = 2.7). The intensity ratios of v_OH in the spectra of KH(D)(C₆H₅COO)₂ and RbH(D)(CCl₃COO)₂ are close to the harmonic value A_OH/A_OD = (v_OH/v_OD)² = 2.

Original language	English
Pages (from-to)	1559-1563
Number of pages	5
Journal	Spectrochimica Acta - Part A Molecular Spectroscopy
Volume	52
Issue number	11
DOIs	https://doi.org/10.1016/0584-8539(96)01703-5
State	Published - Oct 1996

Keywords

Carboxylic acids
Crystalline acid salts
Hydrogen bond energy
IR spectra

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title = "IR spectra and hydrogen bond energies of crystalline acid salts of carboxylic acids",

abstract = "{"}Absolute{"} intensities of the vOH IR bands of acid salts with linear, short and strong hydrogen bonds have been measured. The interrelations of spectral parameters, namely the intensification of the vOH as ΔA 1/2 ≡ A1/211 - A1/2O, the displacement of the vOH band as Δv = vO - vH and the increased frequency of the out-of-plane vibration τOH as Δτ2 = τ2H - τ2O (O and H denote spectral parameters of free and bonded OH groups respectively) were found to be close to those previously determined for the H-bond spectra in solutions. An estimation of the H-bond energy has been made according to logansen's correlations between spectral and thermodynamic parameters. An anomalous isotopic intensity ratio was found in the spectra of KH(D)C2O4 for the τOH band (AOH/AOD = 0.36) as well as for the vOH band (AOH/AOD = 2.7). The intensity ratios of vOH in the spectra of KH(D)(C6H5COO)2 and RbH(D)(CCl3COO)2 are close to the harmonic value AOH/AOD = (vOH/vOD)2 = 2.",

keywords = "Carboxylic acids, Crystalline acid salts, Hydrogen bond energy, IR spectra",

author = "Rozenberg, \{M. Sh\}",

year = "1996",

month = oct,

doi = "10.1016/0584-8539(96)01703-5",

language = "אנגלית",

volume = "52",

pages = "1559--1563",

journal = "Spectrochimica Acta - Part A Molecular Spectroscopy",

issn = "0584-8539",

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TY - JOUR

T1 - IR spectra and hydrogen bond energies of crystalline acid salts of carboxylic acids

AU - Rozenberg, M. Sh

PY - 1996/10

Y1 - 1996/10

N2 - "Absolute" intensities of the vOH IR bands of acid salts with linear, short and strong hydrogen bonds have been measured. The interrelations of spectral parameters, namely the intensification of the vOH as ΔA 1/2 ≡ A1/211 - A1/2O, the displacement of the vOH band as Δv = vO - vH and the increased frequency of the out-of-plane vibration τOH as Δτ2 = τ2H - τ2O (O and H denote spectral parameters of free and bonded OH groups respectively) were found to be close to those previously determined for the H-bond spectra in solutions. An estimation of the H-bond energy has been made according to logansen's correlations between spectral and thermodynamic parameters. An anomalous isotopic intensity ratio was found in the spectra of KH(D)C2O4 for the τOH band (AOH/AOD = 0.36) as well as for the vOH band (AOH/AOD = 2.7). The intensity ratios of vOH in the spectra of KH(D)(C6H5COO)2 and RbH(D)(CCl3COO)2 are close to the harmonic value AOH/AOD = (vOH/vOD)2 = 2.

AB - "Absolute" intensities of the vOH IR bands of acid salts with linear, short and strong hydrogen bonds have been measured. The interrelations of spectral parameters, namely the intensification of the vOH as ΔA 1/2 ≡ A1/211 - A1/2O, the displacement of the vOH band as Δv = vO - vH and the increased frequency of the out-of-plane vibration τOH as Δτ2 = τ2H - τ2O (O and H denote spectral parameters of free and bonded OH groups respectively) were found to be close to those previously determined for the H-bond spectra in solutions. An estimation of the H-bond energy has been made according to logansen's correlations between spectral and thermodynamic parameters. An anomalous isotopic intensity ratio was found in the spectra of KH(D)C2O4 for the τOH band (AOH/AOD = 0.36) as well as for the vOH band (AOH/AOD = 2.7). The intensity ratios of vOH in the spectra of KH(D)(C6H5COO)2 and RbH(D)(CCl3COO)2 are close to the harmonic value AOH/AOD = (vOH/vOD)2 = 2.

KW - Carboxylic acids

KW - Crystalline acid salts

KW - Hydrogen bond energy

KW - IR spectra

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JO - Spectrochimica Acta - Part A Molecular Spectroscopy

JF - Spectrochimica Acta - Part A Molecular Spectroscopy

IS - 11

ER -

IR spectra and hydrogen bond energies of crystalline acid salts of carboxylic acids

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