| ČAJAN, Michal, Pavel LHOTÁK, Jan LANG, Hana DVOŘÁKOVÁ, Ivan STIBOR a Jaroslav KOČA. The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition. Journal of the chemical society. Perkin transactions II, Physical organic chemistry. London: Chemical society, 2002, roč. 100, č. 1, s. 1922-1929. ISSN 1472-779X. |
Další formáty:
BibTeX
LaTeX
RIS
@article{406062,
author = {Čajan, Michal and Lhoták, Pavel and Lang, Jan and Dvořáková, Hana and Stibor, Ivan and Koča, Jaroslav},
article_location = {London},
article_number = {1},
keywords = {calix[4]arene; conformation; transition; DFT},
language = {eng},
issn = {1472-779X},
journal = {Journal of the chemical society. Perkin transactions II, Physical organic chemistry},
title = {The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition},
volume = {100},
year = {2002}
}
TY - JOUR
ID - 406062
AU - Čajan, Michal - Lhoták, Pavel - Lang, Jan - Dvořáková, Hana - Stibor, Ivan - Koča, Jaroslav
PY - 2002
TI - The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition
JF - Journal of the chemical society. Perkin transactions II, Physical organic chemistry
VL - 100
IS - 1
SP - 1922
EP - 1922
PB - Chemical society
SN - 1472779X
KW - calix[4]arene
KW - conformation
KW - transition
KW - DFT
N2 - This work is focused on the dynamics and thermodynamics of the pinched cone-pinched cone interconversion of calix[4]arenes. The behaviour of methylene bridged non-substituted tetraalkoxycalix[4]arene and its tetraalkoxythiacalix[4]arene analogue is compared. Energetic and structural changes during this interconversion have been closely studied by HF and DFT quantum chemistry methods in combination with temperature -dependent 1 H NMR spectroscopy. The most important stationary points-minima and transition states on the potential energy surface have been identified and their symmetry and other structural properties have been determined.
ER -
ČAJAN, Michal, Pavel LHOTÁK, Jan LANG, Hana DVOŘÁKOVÁ, Ivan STIBOR a Jaroslav KOČA. The conformational behaviour of thiacalix[4]arenes: the pinched cone/pinched cone transition. \textit{Journal of the chemical society. Perkin transactions II, Physical organic chemistry}. London: Chemical society, 2002, roč.~100, č.~1, s.~1922-1929. ISSN~1472-779X.
|
