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

• Type: Article in International Scientific Journal
• Date: 2006

Authors

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

Journal

Title: Chemical Physics

Vol. 320

Pages: 193-206

ISSN: 0301-0104

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 8 Citations

Scopus - 9 Citations

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: 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.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 14