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首页> 外文期刊>The Journal of Chemical Physics >Infrared spectra of seeded hydrogen clusters:(paraH_2)N-OCS,(orthoH_2)_N-OCS,and (HD)_N-OCS,N=2-7
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Infrared spectra of seeded hydrogen clusters:(paraH_2)N-OCS,(orthoH_2)_N-OCS,and (HD)_N-OCS,N=2-7

机译:氢原子簇的红外光谱:(paraH_2)N-OCS,(orthoH_2)_N-OCS和(HD)_N-OCS,N = 2-7

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摘要

Infrared spectra of hydrogen-carbonyl sulfide clusters containing paraH_2,orthoH_2,or HD have been studied in the 2060 cm~(-1) region of the C-O stretching vibration.The clusters were formed in pulsed supersonic jet expansions and probed using a tunable infrared diode laser spectrometer.Simple symmetric rotor type spectra were observed and assigned for clusters containing up to N =7 hydrogen molecules.There was no resolved K structure,and Q-branch features were present for orthoH_2 and HD but absent for paraH_2.These characteristics can be rationalized in terms of near symmetric rotor structures,very low effective rotational temperatures (0.15 to 0.6 K),and nuclear spin statistics.The observed vibrational shifts were compared with those from recent observations on the same clusters embedded in helium nanodroplets.The observed rotational constants for the paraH_2 clusters are in good agreement with a recent quantum Monte Carlo simulation.Some mixed clusters were also observed,such as HD-HD-He-OCS and paraH_2-orthoH_2-OCS.
机译:在CO拉伸振动的2060 cm〜(-1)区域研究了含对位H_2,邻位H_2或高位氢的羰基硫氢化物团簇的红外光谱,这些团簇在脉冲超声速射流膨胀中形成,并使用可调红外二极管探测。观察到简单的对称转子型光谱,并将其分配给最多包含N = 7个氢分子的团簇。没有解析的K结构,orthoH_2和HD存在Q分支特征,而paraH_2不存在。这些特征可以是在接近对称的转子结构,非常低的有效旋转温度(0.15至0.6 K)和核自旋统计方面进行了合理化。将观察到的振动位移与最近观察到的嵌入氦纳米液滴中相同簇的振动位移进行了比较。观察到的旋转常数paraH_2团簇与最近的量子蒙特卡洛模拟非常吻合。还观察到一些混合团簇,例如HD -HD-He-OCS和paraH_2-orthoH_2-OCS。

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