Strathprints Home | Open Access | Browse | Search | User area | Copyright | Help | Library Home | SUPrimo

Structural studies of trans-N2S2 copper macrocycles

Trotter, K.D. and Reglinski, J. and Robertson, K. and Forgie, J.C. and Parkinson, J.A. and Kennedy, A.R. and Armstrong, D.R. and Sowden, R.J. and Spickett, C.M. (2009) Structural studies of trans-N2S2 copper macrocycles. Inorganica Chimica Acta, 362 (11). pp. 4065-4072. ISSN 0020-1693

Full text not available in this repository. (Request a copy from the Strathclyde author)

Abstract

The X-ray crystal structures of two related trans-N2S2 copper macrocycles are reported. One was isolated with the copper in the divalent form and the other with copper in its univalent form affording a valuable insight into the changes of geometry and metrical parameters that occur during redox processes in macrocyclic copper complexes. A variable temperature NMR study of the copper(I) complex is reported, indicative of a chair-boat conformational change within the alkyl chain backbone of the macrocycle. It was possible to extract the relevant kinetic and thermodynamic parameters (ΔG‡, 57.8 kJ mol−1; ΔH‡, 52.1 kJ mol−1; ΔS‡, −19.2 J K−1 mol−1) for this process at 298 K. DFT molecular orbital calculations were used to confirm these observations and to calculate the energy difference (26.2 kJmol−1) between the copper(I) macrocycle in a planar and a distorted tetrahedral disposition.

Item type: Article
ID code: 16928
Notes: Strathprints' policy is to record up to 8 authors per publication, plus any additional authors based at the University of Strathclyde. More authors may be listed on the official publication than appear in the Strathprints' record.
Keywords: copper, macrocyclic complex, electrochemistry, dynamic behaviour, Chemistry
Subjects: Science > Chemistry
Department: Faculty of Science > Pure and Applied Chemistry
Faculty of Science > Strathclyde Institute of Pharmacy and Biomedical Sciences
Related URLs:
    Depositing user: Strathprints Administrator
    Date Deposited: 15 Apr 2010 14:20
    Last modified: 04 Oct 2012 13:13
    URI: http://strathprints.strath.ac.uk/id/eprint/16928

    Actions (login required)

    View Item