Isomer-Selective Vibrational Spectroscopy of Jet-Cooled Phenol鈥揂cetylene Aggregates

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• 作者：Markus B枚ning ; Benjamin Stuhlmann ; Gernot Engler ; Karl Kleinermanns
• 刊名：The Journal of Physical Chemistry A
• 出版年：2013
• 出版时间：April 18, 2013
• 年：2013
• 卷：117
• 期：15
• 页码：3214-3220
• 全文大小：405K
• 年卷期：v.117,no.15(April 18, 2013)
• ISSN：1520-5215

文摘

The structures of the phenol (Ph)鈥揳cetylene (A) clusters PhA_1,2,3 and Ph₂A₁ are assigned on the basis of isomer and mass specific IR鈥揢V double resonance spectroscopy and compared to the structure of the PhA cocrystal. The structures of the PhA_1,2,3 clusters are dominated by phenol鈥揳cetylene 蟺-hydrogen bonds whereas Ph₂A₁ binds via OH路路路OH路路路C鈮 interaction with dominating Ph鈥揚h hydrogen bond like in the phenol dimer and acetylene attached to the free OH group of the proton acceptor phenol. The macroscopic crystal is a clathrate of phenol with acetylene with hydrogen bridges only between the phenol molecules and not between phenol and acetylene.(1) A possible aggregation pathway is proposed in which larger phenol clusters like Ph₆ are cyclic with no free OH available anymore to which acetylene could attach as proton acceptor.