Naslov
The Study of Intramolecular Aliphatic Chain Interactions in Bis(L-N, N-dimethylaminoacidato)copper(II) Complexes by Means of Theoretical Conformational Analysis

Autori
Sabolović, Jasmina

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Fifth COST D11 Workshop on Supramolecular Chemistry, Scientific Program and List of Abstracts / Ramstrom, O. ; Moberg, C. - Stockholm : Department of Chemistry, Royal Institute of Technology, Stockholm, 2002, 73-73

Skup
Fifth COST D11 Workshop on Supramolecular Chemistry

Mjesto i datum
Stockholm, Švedska, 05.12.2002. - 08.12.2002

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
copper(II); amino acids; molecular mechanics; conformational analysis

Sažetak
To study the influence of intramolecular nonbonded interactions between the aliphatic chains in bis(L-N, N-dimethylaminoacidato)copper(II) complexes (amino acid: valine, isoleucine, leucine) on the most stable complexes&#8217 ; conformations, a conformational analysis has been performed with a molecular mechanics force field. The force field used was developed specifically for modelling anhydrous and aqua trans and cis copper(II) amino acid complexes [1]. The theoretical results have been correlated with the results of electron paramagnetic resonance (EPR) measurements [2] obtained for the same copper(II) complexes. [1] J. Sabolović, C. S. Tautermann, T. Loerting, K. R. Liedl, Inorg. Chem., submitted 2002. [2] J. Sabolović. V. Noethig-Laslo, Cell. Mol. Biol. Lett. 7 (2002) 151-153.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA