کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5418546 1506964 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Cesium cation complexation by 25,27-dihydroxycalix[4]arene-crown-6: Computational study
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Cesium cation complexation by 25,27-dihydroxycalix[4]arene-crown-6: Computational study
چکیده انگلیسی
The computation of equilibrium structure of complex 25,27-dihydroxycalix[4]arene-crown-6 (fixed in 1,3-alternate conformation) with cesium cation was carried out by the DFT method. It was shown, that its stability decreases with addition of water molecules into the cation coordination sphere. The distortion of macrobicyclic ligand conformation, caused by changing of phenolic rings position (not directly involved in interactions with crown-ether moiety) does not influence the stability of its complex with Cs+.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 815, Issues 1–3, 1 August 2007, Pages 83-86
نویسندگان
, , , ,