Oxygen versus nitrogen co-ordination in complexes of MoVI and hydroxamate derivatives of α-amino acids: Equilibrium, structural and theoretical studies

E. Farkas, Hajnalka Csóka, Gareth Bell, David A. Brown, Laurence P. Cuffe, Noel J. Fitzpatrick, William K. Glass, William Errington, Terence J. Kemp

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Abstract

Equilibrium and spectroscopic studies showed that MoVI (MoO4 2-) reacts with α-aminohydroxamic acids (glycine-, sarcosine-, α-alanine-hydroxamic acids, Glyha, Sarha and α-Alaha) in the acidic pH range to give species involving O,O co-ordination whereas, as the pH is raised, species involving N,N co-ordination are formed. The crystal structure of [MoO2(Glyha)2] confirmed formation of an O,O co-ordination isomer. Theoretical studies of the O,O and N,N isomers of [MoO2(Glyha)2] and [MoO2(Sarha)2] showed the former to be the more stable but the relative closeness of the calculated energies of the isomers is in accord with the solution studies. Histidine hydroxamic acid (Hisha) forms O,O isomers in the acidic pH range but as the pH is raised forms two new isomers, one containing the amino nitrogen protonated and co-ordinated in a tridentate manner using the two hydroxamate oxygen atoms and the imidazole N while the other probably contains protonated imidazole N and is co-ordinated via the amino and hydroxamate nitrogens.

Original languageEnglish
Pages (from-to)2789-2794
Number of pages6
JournalJournal of the Chemical Society, Dalton Transactions
Issue number16
Publication statusPublished - Aug 16 1999

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Isomers
Nitrogen
Oxygen
Derivatives
Amino Acids
Hydroxamic Acids
Sarcosine
Histidine
Alanine
Glycine
Crystal structure
Atoms
Acids
molybdenum dioxide
imidazole

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Oxygen versus nitrogen co-ordination in complexes of MoVI and hydroxamate derivatives of α-amino acids : Equilibrium, structural and theoretical studies. / Farkas, E.; Csóka, Hajnalka; Bell, Gareth; Brown, David A.; Cuffe, Laurence P.; Fitzpatrick, Noel J.; Glass, William K.; Errington, William; Kemp, Terence J.

In: Journal of the Chemical Society, Dalton Transactions, No. 16, 16.08.1999, p. 2789-2794.

Research output: Contribution to journalArticle

Farkas, E. ; Csóka, Hajnalka ; Bell, Gareth ; Brown, David A. ; Cuffe, Laurence P. ; Fitzpatrick, Noel J. ; Glass, William K. ; Errington, William ; Kemp, Terence J. / Oxygen versus nitrogen co-ordination in complexes of MoVI and hydroxamate derivatives of α-amino acids : Equilibrium, structural and theoretical studies. In: Journal of the Chemical Society, Dalton Transactions. 1999 ; No. 16. pp. 2789-2794.
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abstract = "Equilibrium and spectroscopic studies showed that MoVI (MoO4 2-) reacts with α-aminohydroxamic acids (glycine-, sarcosine-, α-alanine-hydroxamic acids, Glyha, Sarha and α-Alaha) in the acidic pH range to give species involving O,O co-ordination whereas, as the pH is raised, species involving N,N co-ordination are formed. The crystal structure of [MoO2(Glyha)2] confirmed formation of an O,O co-ordination isomer. Theoretical studies of the O,O and N,N isomers of [MoO2(Glyha)2] and [MoO2(Sarha)2] showed the former to be the more stable but the relative closeness of the calculated energies of the isomers is in accord with the solution studies. Histidine hydroxamic acid (Hisha) forms O,O isomers in the acidic pH range but as the pH is raised forms two new isomers, one containing the amino nitrogen protonated and co-ordinated in a tridentate manner using the two hydroxamate oxygen atoms and the imidazole N while the other probably contains protonated imidazole N and is co-ordinated via the amino and hydroxamate nitrogens.",
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AU - Brown, David A.

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AU - Kemp, Terence J.

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