| Full text | |
| Author(s): |
Lucchese, Angelica M.
[1]
;
Di Vitta, Claudio
[2]
;
Vilcachagua, Janaina D.
[2]
;
Nakagawa, Juliana M.
[2]
;
Franco, Mauricio P.
[2]
;
Braga, Ataualpa A. C.
[2]
;
Marzorati, Liliana
[2]
Total Authors: 7
|
| Affiliation: | [1] Univ Estadual Feira de Santana, Dept Ciencias Exatas, Area Quim, BR-44031460 Feira De Santana, Bahia - Brazil
[2] Univ Sao Paulo, Inst Quim, Ave Lineu Prestes 748, BR-05508900 Sao Paulo - Brazil
Total Affiliations: 2
|
| Document type: | Journal article |
| Source: | Journal of Molecular Structure; v. 1149, p. 640-644, DEC 5 2017. |
| Web of Science Citations: | 0 |
| Abstract | |
Favored conformations of some pyridinium salts could be accessed by NOE experiments and calculations. The favored conformation of 2,4,6-trimethylpyridinium salt 1 is a slightly distorted open conformation. For 2,4,6-trimethylpyridinium salts 2 and 3, favored distorted closed gauche conformations, that would be stabilized by a pi-cation interaction, are proposed. Favored conformations for 2,4,6-triphenyl salts 4 and 5 are very similar to the analogous for 1 and 2 indicating little influence of the nature of 2,6-substituents of the heterocyclic ring. (C) 2017 Elsevier B.V. All rights reserved. (AU) | |
| FAPESP's process: | 15/01491-3 - Theoretical study of cross-coupling reactions: homogeneous and heterogeneous catalysis |
| Grantee: | Ataualpa Albert Carmo Braga |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 14/25770-6 - New frontiers in cross-coupling reactions promoted by palladium: combining enantioselective catalysis, C-H activations, new materials and in flux reactions aiming at high efficiency and sustainability in synthetic processes |
| Grantee: | Carlos Roque Duarte Correia |
| Support Opportunities: | Research Projects - Thematic Grants |