| Publication Type |
Journal Article |
| Title |
Supramolecular arrangement in mono and bi-camphor acyl hydrazones: A structural study |
| Authors |
Adelino M. Galvão M Fernanda NN Carvalho Ana S. D. Ferreira |
| Groups |
BioMol |
| Journal |
JOURNAL OF MOLECULAR STRUCTURE |
| Year |
2016 |
| Month |
March |
| Volume |
1108 |
| Number |
|
| Pages |
708-716 |
| Abstract |
New acyl hydrazones were synthesized by condensation with camphorquinone aiming at extending the range of applications of the biologically active camphor compounds and structural studies by XRD, H-1-NMR and IR were used in conjunction with advanced computational methodologies to understand the new structural chemistry enabled by the conjugation of the camphor ketone group to the hydrazone N=C double bond. In particular, were analysed supramolecular arrangements either by hydrogen bonding to water molecules or electrostatic interactions with non protic solvents. The relative stability of all conformers (E/Z) prompted by the hydrazone bond was addressed by state of the art methods such as CR-CCSD(T) and their inter-conversion in both So and Si by CR-EOM-CCSD(T). (C) 2015 Elsevier B.V. All rights reserved. |
| DOI |
http://dx.doi.org/10.1016/j.molstruc.2015.12.061 |
| ISBN |
|
| Publisher |
ELSEVIER SCIENCE BV |
| Book Title |
|
| ISSN |
0022-2860 |
| EISSN |
1872-8014 |
| Conference Name |
|
| Bibtex ID |
ISI:000370086900078 |
| Observations |
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