Synthesis, X-ray structure, DFT and thermodynamic studies of mono- and binuclear palladium(II) complexes involving 1,4-bis(2-hydroxyethyl)piperazine, bio-relevant ligands and 4,4′-bipiperidine
[Pd(BHEP)Cl 2 ] (BHEp = 1,4-bis(2-hydroxyethyl)piperazine) was synthesized and characterized. The palladium center has a typical square-planar geometry with a tetrahedral distortion. The alcohol groups of the ligand do not participate in binding to Pd(II). The DFT/B3LYP method was used for geometric...
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Published in | Journal of coordination chemistry Vol. 69; no. 3; pp. 522 - 540 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
Abingdon
Taylor & Francis
01.02.2016
Taylor & Francis Ltd |
Subjects | |
Online Access | Get full text |
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Summary: | [Pd(BHEP)Cl
2
] (BHEp = 1,4-bis(2-hydroxyethyl)piperazine) was synthesized and characterized. The palladium center has a typical square-planar geometry with a tetrahedral distortion. The alcohol groups of the ligand do not participate in binding to Pd(II). The DFT/B3LYP method was used for geometric optimization of the ligand and the complex using the Gaussian 09 program and compared with experimental results. The stoichiometry and stability constants of the complexes formed between [Pd(BHEP)(H
2
O)
2
]
2+
and some selected amino acids, peptides, and DNA constituents were investigated at 25 °C and 0.1 M ionic strength. The binuclear complex [(H
2
O)(BHEP)Pd(Bip)Pd(BHEP)(H
2
O)]
4+
was detected, where Bip = 4,4′-bipiperidine. Inosine, uracil, and thymine interact with the binuclear complex via substitution of both coordinated water molecules. The potentiometric results were complimented by spectroscopic measurements. The concentration distribution diagrams of the various species formed were evaluated. |
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Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0095-8972 1029-0389 |
DOI: | 10.1080/00958972.2015.1132312 |