Comparative study on the transition metal complexes of a novel thiacalix[4]arene derivative

• Tipo: Artigo em Revista Científica Internacional
• Data: 2006

Autores

Suwattanamala, A (Autor) Outra; Appelhans, D (Autor) Outra; Wenzel, M (Autor) Outra; Gloe, K (Autor) Outra; Magalhaes, AL (Autor) FCUP; Gomes, JANF (Autor) FCUP

Revista

Título: Chemical Physics

Vol. 320

Páginas: 193-206

ISSN: 0301-0104

Editora: Elsevier

Indexação

ISI Web of Knowledge - 8 Citações

Scopus - 9 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-004-NQH

DOI: 10.1016/j.chemphys.2005.07.024

Abstract (EN): A comparative study on Zn2+ and Cu2+ complexes of the novel comround 5,11,17,23-tetra-tert-butyl-25,27-bis{[4-(methoxycarbonyl)phenyl]methoxyl}-2,8,14,20-tetrathiacalix[4]arene, that possesses potential as a core unit for the construction of molecular receptors, is presented using semiempirical AMI calculation. The possible structures of each metal complex and their corresponding energetic data are compared with the parent 5,11,17,2 3 -tetra- ter t-butyl-2,8,14,20-tetrathiacalix[4]arene. The complexation ability of both thiacalix[4]arenes towards the two metal ions is discussed on the basis of binding energies. Both thiacalix[4]arene 1:1 complexes show higher complexation ability towards Cu2+. However, 5,11,17,23-tetra-tert-butyl-25,27-bisf[4-(methoxycarbonyl)phenyl]methoxyl-2,8,14,20-tetrathiacalix[4]arene presents lower complexation ability when compared with the 5,11,17,2 3 -tetra- tert-butyl 2,8,14,20-tetrathiacalix[4]arene. The results of liquid-liquid extraction e:experiments of the thiacalix[4]arenes are in good agreement with the theoretical calculations.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 14