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A new interpretation of the IR spectrum of H(D)Cl complexed with dimethyl ether from a supersonic jet-FTIR experiment

机译:超声喷射-FTIR实验对H(D)Cl与二甲醚络合红外光谱的新解释

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摘要

FTIR spectra of the v_s bands of HCl and DCl complexed by dimethylether in a supersonic jet expansion seeded with argon have been recorded using a new experimental set-up which significantly improves our previous data [Chem. Phys Lett. 268 (1997) 265]. The temperature effects introduced in the experiments coupled to jet-cooled conditions (< 50 K) facilitate the band assignments and enable some parameters relative to these complexes to be estimated with the theoretical support of density functional calculations. From this analysis a new interpretation of the band shaping mechanisms for the gas cell spectra of both DME:HCl and DME:DCl dimers, which emphasizes the role played by the transitions involving the low frequency intermolecular bending modes v_#delta#, is proposed.
机译:使用新的实验装置记录了在氩气下超声速射流膨胀中由二甲醚络合的HCl和DCl的v_s谱带的FTIR光谱,该实验装置显着改善了我们以前的数据[Chem。物理莱特。 268(1997)265]。实验中引入的温度效应与射流冷却条件(<50 K)配合使用,可以简化谱带分配,并在密度泛函计算的理论支持下估算出与这些配合物有关的一些参数。通过该分析,提出了对DME:HCl和DME:DCl二聚体的气室谱的带整形机理的新解释,强调了由涉及低频分子间弯曲模式v_#delta#的跃迁所起的作用。

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