کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5413440 | 1506629 | 2007 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of the inclusion complexes of α and β-cyclodextrins with decyltrimethylammonium bromide (DTAB) and tetradecyltrimethylammonium bromide (TTAB)
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
The behavior of the inclusion complex formation of decyltrimethylammonium bromide (DTAB) and tetradecyltrimethylammonium bromide (TTAB) with α-cyclodextrin (α-CD) and β-cyclodextrin (β-CD) were studied in vacuum at the level of semi-empirical (AM1, PM3), HF/3-21Gâ and B3LYP/3-21Gâ theories. The inclusion complex formation of α-CD and β-CD DTAB and TTAB were studied just for the 1:1 complexes. The results indicate that the complexation of α-CD with DTAB is significantly more favorable than that of β-CD with DTAB. Interestingly, the trend of enthalpy changes of the complexation processes for α-CD and β-CD with TTAB is nearly the same. The negative enthalpy changes calculated from the statistical thermodynamic calculations at 1 atm and 298.15 K suggest that all of the inclusion complexations are favored enthalpy-driven processes.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 135, Issues 1â3, 31 July 2007, Pages 153-157
Journal: Journal of Molecular Liquids - Volume 135, Issues 1â3, 31 July 2007, Pages 153-157
نویسندگان
A.A. Rafati, S.M. Hashemianzadeh, Z.B. Nojini, M.A. Safarpour,