Observation and rovibrational analysis of the intermolecular NH3 libration band v(9)(1) of H3N-HCN

Larsen RW; Hegelund F; Nelander B

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Observation and rovibrational analysis of the intermolecular NH3 libration band v(9)(1) of H3N-HCN

机译：H3N-HCN的分子间NH3释放带v（9）（1）的观察和振动分析

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The high-resolution far-infrared absorption spectrum of the gaseous molecular complex H3N-HCN is recorded by means of static gas-phase Fourier transform far-infrared spectroscopy at 247 K, using a synchrotron radiation source. The spectrum contains distinct rotational structures which are assigned to the intermolecular NH3 libration band v(9)(1) (v(B)) of the pyramidal H3N-HCN complex. A rovibrational analysis based on a standard semirigid symmetric top molecule model yields the band origin of 260.03(10) cm(-1), together with values for the upper state rotational constant B' and the upper state quartic centrifugal distortion constants D'(J) and D'(JK). The values for the upper state spectroscopic constants indicate that the hydrogen bond in the H3N-HCN complex is destabilized by 5% and elongates by 0.010 angstrom upon excitation of a quantum of libration of the hydrogen bond acceptor molecule.

机译：气态分子复合物H3N-HCN的高分辨率远红外吸收光谱是使用同步加速器辐射源通过247 K静态气相傅里叶变换远红外光谱法记录的。该光谱包含不同的旋转结构，这些旋转结构被分配给金字塔形H3N-HCN络合物的分子间NH3释放带v（9）（1）（v（B））。基于标准半刚性对称顶部分子模型的振动分析得出的谱带原点为260.03（10）cm（-1），以及上态旋转常数B'和上态四次离心畸变常数D'（J ）和D'（JK）。上态光谱常数的值表明，在激发氢键受体分子的释放量子时，H3N-HCN络合物中的氢键不稳定5％，并延长0.010埃。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2005年第20期|共5页
作者
Larsen RW; Hegelund F; Nelander B;
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正文语种 eng
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SYNCHROTRON-RADIATION SOURCE; HCN-HF; COMPLEXES; SPECTROSCOPY; CONSTANTS; SPECTRUM; DCN;

机译：同步辐射源;HCN-HF;络合物;光谱学;常数;光谱;DCN;

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1. Observation and rovibrational analysis of the intermolecular NH3 libration band v(9)(1) of H3N-HCN [J] . Larsen RW, Hegelund F, Nelander B The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2005,第20期

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Observation and rovibrational analysis of the intermolecular NH3 libration band v(9)(1) of H3N-HCN

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