Energy decomposition analysis of gauche preference in 2-haloethanol, 2-haloethylamine (halogen = F, Cl), their protonated forms and anti preference in 1-chloro-2-fluoroethane-Reference-Cited by-同舟云学术

Energy decomposition analysis of gauche preference in 2-haloethanol, 2-haloethylamine (halogen = F, Cl), their protonated forms and anti preference in 1-chloro-2-fluoroethane

Published:2015 Issue:29 Volume:5 Page:22980-22995
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Baranac-Stojanović Marija¹²³⁴,Aleksić Jovana⁵²³⁴,Stojanović Milovan⁵²³⁴

Affiliation:

1. Faculty of Chemistry

2. University of Belgrade

3. 11000 Belgrade

4. Serbia

5. Center for Chemistry ICTM

Abstract

Small, electronegative elements contribute more electrostatic and orbital stabilization to the anti → gauche isomerization, and greater steric repulsion. The first and the latter actually oppose our traditional view of conformational equilibria.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA01164G

Reference78 articles.

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3. Is hyperconjugation responsible for the “gauche effect” in 1-fluoropropane and other 2-substituted-1-fluoroethanes? †

4. Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes

5. On the stereoelectronic effects governing the rotational isomerism of 1,2-di-haloethanes

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