Interactions between Ketones and Alcohols: Rotational Spectrum and Internal Dynamics of the Acetone-Ethanol Complex.
作者信息
Gou Qian, Favero Laura B, Feng Gang, Evangelisti Luca, Pérez Cristóbal, Caminati Walther
机构信息
Department of Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331, Chongqing, P. R. China.
Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), Sezione di Bologna CNR, Via Gobetti 101, 40129, Bologna, Italy.
出版信息
Chemistry. 2017 Aug 16;23(46):11119-11125. doi: 10.1002/chem.201702090. Epub 2017 Jul 24.
The rotational spectra of two isotopologues of the 1:1 complex formed between acetone and ethanol have been recorded and analyzed by using Fourier-transform microwave spectroscopy. One rotamer was detected, in which ethanol adopts the gauche form. The two subunits are linked by a conventional O-H⋅⋅⋅O and a weak C-H⋅⋅⋅O hydrogen bond, forming a six-membered ring. Each rotational transition is split into five component lines due to the internal rotations of two nonequivalent acetone methyl groups. The V barriers to internal rotation of the two CH tops of acetone were determined to be 252(4) and 220(1) cm , which are noticeably lower than the value for the monomer (266 cm ).
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