Synthesis, characterization, DNA-binding properties and electronic structure (DFT) of ruthenium oligopyridine complexes

 
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2008 (EN)
Synthesis, characterization, DNA-binding properties and electronic structure (DFT) of ruthenium oligopyridine complexes (EN)

Christopoulos, K. (EN)

Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας (EL)
Christopoulos, K. (EN)

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)

ruthenium oligopyridine complexes (EN)

Πανεπιστήμιο Ιωαννίνων (EL)
University of Ioannina (EN)

Inorganic Chemistry Communications (EN)

English

2008

<Go to ISI>://000261543100009

Elsevier (EN)



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