The origin of the gauche preference in 1,2-difluoroethane has been investigated by using an energy decomposition analysis (EDA). The EDA results show that favourable orbital interactions are not the sole source of stabilization in this conformer. Electrostatic interactions, too, are more attractive in the gauche than in the anti form. This finding opposes our traditional view of electrostatic interactions and their influence on conformational equilibria, but points out that they should be considered as an all-charge phenomenon, rather than partial interaction between pairs of bonds.
TY - JOUR
AU - Baranac-Stojanović, Marija
PY - 2014
UR - https://cherry.chem.bg.ac.rs/handle/123456789/1878
AB - The origin of the gauche preference in 1,2-difluoroethane has been investigated by using an energy decomposition analysis (EDA). The EDA results show that favourable orbital interactions are not the sole source of stabilization in this conformer. Electrostatic interactions, too, are more attractive in the gauche than in the anti form. This finding opposes our traditional view of electrostatic interactions and their influence on conformational equilibria, but points out that they should be considered as an all-charge phenomenon, rather than partial interaction between pairs of bonds.
PB - Royal Soc Chemistry, Cambridge
T2 - RSC Advances
T1 - Gauche preference in 1,2-difluoroethane originates from both orbital and electrostatic stabilization interactions
VL - 4
IS - 83
SP - 43834
EP - 43838
DO - 10.1039/c4ra07909d
ER -
@article{
author = "Baranac-Stojanović, Marija",
year = "2014",
abstract = "The origin of the gauche preference in 1,2-difluoroethane has been investigated by using an energy decomposition analysis (EDA). The EDA results show that favourable orbital interactions are not the sole source of stabilization in this conformer. Electrostatic interactions, too, are more attractive in the gauche than in the anti form. This finding opposes our traditional view of electrostatic interactions and their influence on conformational equilibria, but points out that they should be considered as an all-charge phenomenon, rather than partial interaction between pairs of bonds.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Gauche preference in 1,2-difluoroethane originates from both orbital and electrostatic stabilization interactions",
volume = "4",
number = "83",
pages = "43834-43838",
doi = "10.1039/c4ra07909d"
}
Baranac-Stojanović, M.. (2014). Gauche preference in 1,2-difluoroethane originates from both orbital and electrostatic stabilization interactions. in RSC Advances
Royal Soc Chemistry, Cambridge., 4(83), 43834-43838.
https://doi.org/10.1039/c4ra07909d
Baranac-Stojanović M. Gauche preference in 1,2-difluoroethane originates from both orbital and electrostatic stabilization interactions. in RSC Advances. 2014;4(83):43834-43838.
doi:10.1039/c4ra07909d .
Baranac-Stojanović, Marija, "Gauche preference in 1,2-difluoroethane originates from both orbital and electrostatic stabilization interactions" in RSC Advances, 4, no. 83 (2014):43834-43838,
https://doi.org/10.1039/c4ra07909d . .
