کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5395317 | 1505661 | 2011 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Conformational analysis and intramolecular interactions in 2-haloethanols and their methyl ethers
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 conformational isomerism of 2-haloethanols and their methyl ethers has been theoretically investigated in the isolated state and rationalized on the basis of intramolecular interactions. One of the gauche conformers of 2-haloethanols is significantly more stable than the remaining forms, particularly due to intramolecular hydrogen bonding OHâ¯X. Natural bond orbital analysis and comparison with the corresponding methyl ethers, which do not experience intramolecular hydrogen bonding, reinforce this finding. The electrostatic nature of the hydrogen bonding was found to be preponderant, while the hyperconjugative contribution for this interaction increases on going from F to I.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 964, Issues 1â3, March 2011, Pages 155-159
Journal: Computational and Theoretical Chemistry - Volume 964, Issues 1â3, March 2011, Pages 155-159
نویسندگان
Felipe R. Souza, Matheus P. Freitas,