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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >IR spectra and hydrogen bond energies of crystalline acid salts of carboxylic acids
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IR spectra and hydrogen bond energies of crystalline acid salts of carboxylic acids

机译：羧酸结晶酸盐的红外光谱和氢键能

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摘要

"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 △A~(1-2) ≡A_H~(1-2) - A_O~(1-2), the displacement of the V_(OH) band as △v = v_o- V_H and the increased frequency of the out-of-plane vibration τ_(OH) as △τ~2 = τ_h~2 - τ_o~2 (O and H denote spectral parameters of free and bonded OH groups respectively) were found to be close to thosepreviously 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)C_2O_4 for the T_(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)(C_6H_5COO)_2 and RbH(D)(CCl_3COO)_2 are close to the harmonic value A_(OH)/A_(OD) = (v_(OH)/v_(OD)~2 = 2.
机译：已经测量了具有线性，短和强氢键的酸盐的v_（OH）IR带的“绝对”强度。光谱参数的相互关系，即v_（OH）的强度为△A〜（1-2）≡A_H〜（1-2）-A_O〜（1-2），V_（OH）的位移当△v = v_o- V_H且面外振动τ_（OH）的增加频率为△τ〜2 =τ_h〜2-τ_o〜2（O和H分别表示自由和键合OH基团的光谱参数被发现与溶液中氢键谱的先前确定值接近。根据光谱和热力学参数之间的洛根森相关性，对氢键能量进行了估算。在T_（OH）谱带（A_（OH）/ A_（OD）= 0.36）和V_（OH）谱带（A_（OH）的KH（D）C_2O_4光谱中发现了异常的同位素强度比）/ A_（OD）= 2.7）。 KH（D）（C_6H_5COO）_2和RbH（D）（CCl_3COO）_2光谱中V_（OH）的强度比接近谐波值A_（OH）/ A_（OD）=（v_（OH） / v_（OD）〜2 = 2。

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