Synthesis, characterization, DNA-binding properties and electronic structure (DFT) of ruthenium oligopyridine complexes
| dc.contributor.author | Christopoulos, K. | en |
| dc.contributor.author | Karidi, K. | en |
| dc.contributor.author | Tsipis, A. | en |
| dc.contributor.author | Garoufis, A. | en |
| dc.date.accessioned | 2015-11-24T16:49:33Z | |
| dc.date.available | 2015-11-24T16:49:33Z | |
| dc.identifier.issn | 1387-7003 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/9500 | |
| dc.rights | Default Licence | - |
| dc.subject | ruthenium oligopyridine complexes | en |
| dc.subject | absorption spectra | en |
| dc.subject | DNA binding | en |
| dc.subject | td-dft calculations | en |
| dc.subject | density-functional thermochemistry | en |
| dc.subject | polypyridyl complexes | en |
| dc.subject | nitrosyl complexes | en |
| dc.subject | metal-complexes | en |
| dc.subject | exchange | en |
| dc.subject | spectra | en |
| dc.subject | 1,10-phenanthroline | en |
| dc.subject | drugs | en |
| dc.title | Synthesis, characterization, DNA-binding properties and electronic structure (DFT) of ruthenium oligopyridine complexes | en |
| heal.abstract | The complexes of the general formulae [Ru(terpy)(dcbpy)X](q) (dcbpy = 4,4'-dicarboxy-2,2'-bipyridine; X = Cl(-), 1; NO(+), 2: No(2)(-), 3: q = 1+, 3+ and 1-, respectively) have been synthesized and characterized. The DNA binding properties of structurally similar complexes [Ru(terpy)(dcbpy)NO(2)](-), 3, [Ru(terpy)(4-CO(2)-4'-Mebpy)NO(2)], 4, and [Ru(terpy)(bpy)NO(2)](+), 5, were studied, and their DNA affinities (K(b)) were calculated as 6 +/- 0.3 x 10(4) M(-1), 8 +/- 1.1 x 10(4) M(-1) and 9.7 +/- 0.02. 10(6) M(-1). The structural and spectroscopic properties of complexes 3-5 were investigated by DFT and TD DFT electronic structure calculations. The equilibrium geometries of complexes 3-5 in vacuum correspond to a distorted octahedral stereochemistry. The high-lying peaks of the absorption spectra of the complexes, ranging from 440 to 529 nm, are assigned to MLCT/LLCT transitions. These transitions are red-shifted upon adding carboxy substituents to the bipyridine ligand while the low-lying LLCT transitions, absorbing at 779 and 659 turn, are blue-shifted. Noteworthy is the excellent agreement of the TD DFT simulated absorption spectra in aqueous solution with the experimental ones. (C) 2008 Elsevier B.V. All rights reserved. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | DOI 10.1016/j.inoche.2008.08.015 | - |
| heal.identifier.secondary | <Go to ISI>://000261543100009 | - |
| heal.identifier.secondary | http://ac.els-cdn.com/S1387700308003249/1-s2.0-S1387700308003249-main.pdf?_tid=c998585d7095bf823dc7b61f80fec28d&acdnat=1333029219_d2f8b7655c005ca7b69199d7f8ec9c9f | - |
| heal.journalName | Inorganic Chemistry Communications | en |
| heal.journalType | peer reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 2008 | - |
| heal.publisher | Elsevier | en |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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