New stable complexes of Au(III) with biuret: X-ray structure of cis-[Au(Biu)Br2]PPh4 and Ab initio investigation of cis-[Au(Biu)X2]-

N. Mintcheva; M. Mitewa; V. Enchev; Y. Nishihara

doi:10.1080/0095897031000069049

New stable complexes of Au(III) with biuret: X-ray structure of cis-[Au(Biu)Br₂]PPh₄ and Ab initio investigation of cis-[Au(Biu)X₂]^-

N. Mintcheva, M. Mitewa, V. Enchev, Y. Nishihara

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

Two anionic complexes of Au(III) with the bioligand biuret, cis-[Au(Biu)X₂]^- (BiuH₂ = biuret, X = Cl, Br), have been synthesized and characterized. The molecular structure of cis-[Au(Biu)Br₂]PPh₄ has been determined by X-ray diffraction analysis. The complex anion has square-planar geometry with one deprotonated biuret dianion coordinated bidentately to the metal center via the terminal amino nitrogen atoms and two bromide ions in cis positions. There are no significant intermolecular Au-Au interactions in the solid state. Ab initio calculations of the geometric structure at different computational levels for biuret and both anionic complexes as well an IR study of the structures obtained are performed.

Original language	English
Pages (from-to)	299-305
Number of pages	7
Journal	Journal of Coordination Chemistry
Volume	56
Issue number	4
DOIs	https://doi.org/10.1080/0095897031000069049
Publication status	Published - Mar 10 2003
Externally published	Yes

Keywords

Ab initio calculations
Au(III) complexes
Biuret
IR study
X-ray data

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Materials Chemistry

Access to Document

10.1080/0095897031000069049

Cite this

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title = "New stable complexes of Au(III) with biuret: X-ray structure of cis-[Au(Biu)Br2]PPh4 and Ab initio investigation of cis-[Au(Biu)X2]-",

abstract = "Two anionic complexes of Au(III) with the bioligand biuret, cis-[Au(Biu)X2]- (BiuH2 = biuret, X = Cl, Br), have been synthesized and characterized. The molecular structure of cis-[Au(Biu)Br2]PPh4 has been determined by X-ray diffraction analysis. The complex anion has square-planar geometry with one deprotonated biuret dianion coordinated bidentately to the metal center via the terminal amino nitrogen atoms and two bromide ions in cis positions. There are no significant intermolecular Au-Au interactions in the solid state. Ab initio calculations of the geometric structure at different computational levels for biuret and both anionic complexes as well an IR study of the structures obtained are performed.",

keywords = "Ab initio calculations, Au(III) complexes, Biuret, IR study, X-ray data",

author = "N. Mintcheva and M. Mitewa and V. Enchev and Y. Nishihara",

year = "2003",

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language = "English",

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TY - JOUR

T1 - New stable complexes of Au(III) with biuret

T2 - X-ray structure of cis-[Au(Biu)Br2]PPh4 and Ab initio investigation of cis-[Au(Biu)X2]-

AU - Mintcheva, N.

AU - Mitewa, M.

AU - Enchev, V.

AU - Nishihara, Y.

PY - 2003/3/10

Y1 - 2003/3/10

N2 - Two anionic complexes of Au(III) with the bioligand biuret, cis-[Au(Biu)X2]- (BiuH2 = biuret, X = Cl, Br), have been synthesized and characterized. The molecular structure of cis-[Au(Biu)Br2]PPh4 has been determined by X-ray diffraction analysis. The complex anion has square-planar geometry with one deprotonated biuret dianion coordinated bidentately to the metal center via the terminal amino nitrogen atoms and two bromide ions in cis positions. There are no significant intermolecular Au-Au interactions in the solid state. Ab initio calculations of the geometric structure at different computational levels for biuret and both anionic complexes as well an IR study of the structures obtained are performed.

AB - Two anionic complexes of Au(III) with the bioligand biuret, cis-[Au(Biu)X2]- (BiuH2 = biuret, X = Cl, Br), have been synthesized and characterized. The molecular structure of cis-[Au(Biu)Br2]PPh4 has been determined by X-ray diffraction analysis. The complex anion has square-planar geometry with one deprotonated biuret dianion coordinated bidentately to the metal center via the terminal amino nitrogen atoms and two bromide ions in cis positions. There are no significant intermolecular Au-Au interactions in the solid state. Ab initio calculations of the geometric structure at different computational levels for biuret and both anionic complexes as well an IR study of the structures obtained are performed.

KW - Ab initio calculations

KW - Au(III) complexes

KW - Biuret

KW - IR study

KW - X-ray data

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