کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1404675 1501921 2006 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Cooperative and anticooperative mixed trimers of HCl and methanol
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Cooperative and anticooperative mixed trimers of HCl and methanol
چکیده انگلیسی

In the hydrogen-bonded complex between two HCl molecules and one methanol unit, there are two isomers with similar energies. A cyclic isomer profits from hydrogen bond cooperativity, whereas a converging structure, in which both HCl molecules bind to the lone pairs of methanol, profits from the good acceptor quality of methanol. The latter compensates for anticooperative three-body forces, which arise from the competition of the HCl units for acceptor electron density. This theoretical prediction is supported by FT-IR spectra of supersonic jet expansions, in which both mixed trimers are tentatively assigned along with the mixed dimer of HCl and methanol based on their O–H and Cl–H stretching bands.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 790, Issues 1–3, 5 June 2006, Pages 18–26
نویسندگان
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