Microwave Spectrum and Structure of Formic Acid

Microwave Spectrum and Structure of Formic Acid
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甲酸的微波光谱和结构

DOI：
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发表时间：
1957
期刊：
影响因子：
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通讯作者：
J. P. Friend
J. P. Friend
中科院分区：
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文献类型：
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作者：
R. G. Lerner;B. P. Dailey;J. P. Friend

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本文研究了甲酸五种同位素的微波光谱，得到了转动常数B和C值。对于HCl 2 OOH，B=12 055.1 Mc，C=10 416.0 Mc;对于HCl 2 OOD，B=11 762.5 Mc，C=9970.1 Mc;对于DC 12 OOH，B=12 055.6 Mc，C=9955.8 Mc;对于DC 12 OOD，B=11 759.9 Mc，C=9534.1 Mc; HCl_（13）OOH的B= 12053.7Mc，C= 10378.9Mc。对这些转动常数进行了结构参数拟合：rC-H=1.085 A，rC=O=1.245 A，rC-O=1.312 A，rO-H=0.95 A，α-OCO=124°18′，α-COH=107°48′。据估计，C=O键具有75%的双键特征。扭转频率为667±41 cm-1，势垒高度约为17 kcal/mole。
The microwave spectra of five isotopic species of formic acid have been investigated, and values of the rotational constants B and C have been obtained. For HC12OOH, B=12 055.1 Mc, C=10 416.0 Mc; for HC12OOD, B=11 762.5 Mc, C=9970.1 Mc; for DC12OOH, B=12 055.6 Mc, C=9955.8 Mc; for DC12OOD, B=11 759.9 Mc, C=9534.1 Mc; and for HC13OOH, B=12 053.7 Mc, C=10 378.9 Mc. The following structural parameters have been fitted to these rotational constants: rC–H=1.085 A, rC=O=1.245 A, rC–O=1.312 A, rO–H=0.95 A, ∠OCO=124°18′, ∠COH=107°48′. The C=O bond has been estimated to have 75% double‐bond character. The torsional frequency was found to be 667±41 cm—1 and a barrier height of roughly 17 kcal/mole is indicated.