Artigo
Determinação da estrutura de diferentes alcoóis terpênicos: um estudo teórico e experimental
Registro en:
Orbital: the Electronic Journal of Chemistry, v. 5, n. 1, p. 7-16, 2013.
1984-6428
ISSN1984-6428-2013-05-01-07-16.pdf
9231608553951292
9154336767369306
Autor
Marana, Naiara Letícia [UNESP]
Ducati, Lucas Colucci
Silva Filho, Luiz Carlos da [UNESP]
Resumen
Terpene compounds is a major class of natural products found in nature, although having a relatively simple structure, their 1H-NMR spectra and 13C are complex and have many overlapping signals. The present study aimed to conduct a theoretical and experimental study in order to determine the structure of different chiral alcohols through the use of theoretical calculations of NMR shielding tensors (δ) and their comparison with the experimental chemical shifts. The results show that the level of theory adopted in our studies to describe the structure of the alcohol was adequate, with a good theoretical and experimental correlation assists in determining what structure. Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Universidade Estadual Paulista Júlio de Mesquita Filho (UNESP), Faculdade de Ciências (FC), Departamento de Química, Bauru, SP, Brasil Universidade Estadual de Campinas (UNICAMP), Instituto de Química, Campinas, SP, Brasil Universidade Estadual Paulista Júlio de Mesquita Filho (UNESP), Faculdade de Ciências (FC), Departamento de Química, Bauru, SP, Brasil