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首页> 外文期刊>The Journal of Chemical Physics >Rotational spectroscopy of a weak complex of thiirane and ethyne;the indentification and properties fo a highly nonliner S...H-C hydrogen bond
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Rotational spectroscopy of a weak complex of thiirane and ethyne;the indentification and properties fo a highly nonliner S...H-C hydrogen bond

机译：硫杂环丁烷与乙炔的弱配合物的旋转光谱;高非线性S ... H-C-L氢键的鉴定与性质

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摘要

Rotational and cnetrifugal distortion constnats were determined for eight isotopomers of a weakly bound complex of thiirane and ethyne.The observed complex is of C_s symmetry,with ethyne lying in the symmetry (ab principla ntertial) plane and with H of HCCH forming a hydrogne bond to the S atom of thiirane.The r_0 geometry is :r(S...H)=2.76(5)A,PHI=84.0(5)_deg,and theta=42.9(2)deg,where PHIis t eangle made by the S...H internucear line with the local C-2 acis of the thiirne ring and theta is the angular deviation of the S...H-C nuclei form a linear arrangement.The nonlinearit of the hydrogne bond is attributed to weak primary interaction S...H-C coupled with a secondary interaction involving the pi bond of ethyne with the two equivaletn H atoms of thiirane that are closest to it.The angular geometry of (CH_2)_2S...HX,where X=F,Cl,Br,and CN.
机译：测定了噻吩和乙炔的弱结合复合物的八个同位异构体的旋转和离心畸变常数。观察到的复合物具有C_s对称性，乙炔位于对称（基本原理）平面中，HCCH的H形成与氢的键合硫烷的S原子.r_0的几何形状是：r（S ... H）= 2.76（5）A，PHI = 84.0（5）_deg，θ= 42.9（2）deg，其中PHI是由S ... H中间线与噻吩环的局部C-2 acis和theta是S ... HC原子核呈线性排列的角度偏差。水凝键的非线性归因于弱的一次相互作用S ... HC加上乙炔的pi键与最靠近它的两个硫杂环戊烷H原子的次级相互作用。（CH_2）_2S ... HX的角几何，其中X = F，Cl，Br和CN。

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