1H NMR and computational study of the conformations in solution of one host/guest complex formed with an usnic acid tweezer and 2,4,7-trinitro-9-fluorenone (TNF) - Archive ouverte HAL Access content directly
Journal Articles Tetrahedron Year : 2016

1H NMR and computational study of the conformations in solution of one host/guest complex formed with an usnic acid tweezer and 2,4,7-trinitro-9-fluorenone (TNF)

Abstract

In a host-guest model formed by a molecular tweezer 4, bearing two usnic acid units, and TNF, the TNF protons chemical shifts are measured at various temperatures. With the help of a computational study, the geometries of complexation of this host-guest system are identified and their TNF protons chemical shifts calculated. Data analysis led to conclude that in solution two types of conformations are present: the “lateral” one (similar to the structure found in the solid state) and the “longitudinal” one in which the TNF is less engaged inside the host. The proportion of the latter increases with decreasing temperatures
Fichier principal
Vignette du fichier
1H NMR and computational study of the conformations-accepted.pdf (296.19 Ko) Télécharger le fichier
Origin : Files produced by the author(s)

Dates and versions

hal-01298758 , version 1 (02-09-2016)

Identifiers

Cite

Eric Hitti, Béatrice Legouin, Jérôme Graton, Denis Jacquemin, Philippe Uriac. 1H NMR and computational study of the conformations in solution of one host/guest complex formed with an usnic acid tweezer and 2,4,7-trinitro-9-fluorenone (TNF). Tetrahedron, 2016, 72 (22), pp.2890-2894. ⟨10.1016/j.tet.2016.03.100⟩. ⟨hal-01298758⟩
407 View
119 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More