Stabilities of the C-H•••O bonded complexes of the haloforms HCClnF3-n (n=0-3) with dimethyl ether, oxirane, and acetone:: An experimental and theoretical study

被引：29

作者：

Delanoye, SN ^{[1
]}

Herrebout, WA ^{[1
]}

van der Veken, BJ ^{[1
]}

机构：

[1] Univ Antwerp, Dept Chem, B-2020 Antwerp, Belgium

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2005年 / 109卷 / 43期

关键词：

D O I：

10.1021/jp051476d

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Complexation enthalpies of the complexes of the haloforms HCClnF3-n (n = 0-3) with dimethyl ether, oxirane, and acetone have been determined in liquid krypton and/or liquid argon using infrared spectroscopy. The same quantities were derived starting from ab initio complexation energies, calculated at the MP2=FULL/aug-cc-VTZ level, and by correcting these energies for thermodynamic and solvent contributions. The two sets of data are compared and discussed.

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页码：9836 / 9843

页数：8

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