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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Rapid Vibrational Quenching of CO(V) by H_2O and C_2H_2
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Rapid Vibrational Quenching of CO(V) by H_2O and C_2H_2

机译：H_2O和C_2H_2对CO（V）的快速振动猝灭

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摘要

Rapid relaxation of vibrationally excited carbon monoxide molecules by H_2O and C_2H_2 has been studied by time-resolved Fourier transform infrared emission spectroscopy. The CO(v) molecules were prepared by the laser-induced chemical reaction of CHBr_3 with O_2. The temporal vibrational populations of CO(v) are deduced from the time-resolved spectra. For H_2O, eight relaxation rate constants of Co(v = 1-8) are determined to be 1.7 +- 0.1, 3.4 +- 0.3, 6.2 +- 0.6, 8.0 +- 1.0, 9.0 +- 2.0, 12 +- 3, 16 +- 6, and 18 +-10 (*10~(-13) cm~3 molecule~(-1) s~(-1)), respectively. For C_2H_2, three rate constants of CO(v = 1-3) are deduced to be 2.0 +- 0.1, 6.0 +- 0.5, and 9.4 +- 2.0 (*10~(-13) cm~3 molecule~(-1) s~(-1)), respectively. The excited CO(v) molecules possibly transfer their vibrational energy to the v_2 vibational modes of H_2O or C_2H_2. The rapid relaxation of CO(v) may be caused by many vibrational impacts in a transient hydrogen-bonded complex. Ab initio calulations are carried out for the CO-H_2O and CO-C_2H_2 complexes. Theoretical calculations are also performed for the quenching rate constants based on both SSH theory and the V-V,R model.
机译：通过时间分辨傅立叶变换红外发射光谱研究了H_2O和C_2H_2对振动激发的一氧化碳分子的快速弛豫。通过CHBr_3与O_2的激光诱导化学反应制备了CO（v）分子。从时间分辨谱推导了CO（v）的时间振动种群。对于H_2O，确定八个Co（v = 1-8）的弛豫率常数为1.7 +-0.1、3.4 +-0.3、6.2 +-0.6、8.0 +-1.0、9.0 +-2.0、12 +-3， 16 +-6和18 + -10（* 10〜（-13）cm〜3分子〜（-1）s〜（-1））。对于C_2H_2，推导三个CO（v = 1-3）的速率常数为2.0 +-0.1、6.0 +-0.5和9.4 +-2.0（* 10〜（-13）cm〜3分子〜（-1 ）s〜（-1））。激发的CO（v）分子可能将其振动能量传递给H_2O或C_2H_2的v_2振动模式。 CO（v）的快速松弛可能是由瞬态氢键复合物中的许多振动影响引起的。对CO-H_2O和CO-C_2H_2配合物进行了从头算。还基于SSH理论和V-V，R模型对淬灭速率常数进行了理论计算。

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