Synthesis, molecular and electronic structures of half-sandwich ruthenium(II) complexes with pyrimidine-based ligands

Małecki, Jan Grzegorz

doi:10.1007/s11243-010-9396-4

Cited by 13 publications

(6 citation statements)

References 37 publications

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“…This study aimed at exploring the electronic structure of platinum complexes of triazolopyrimidines. A similar high level calculation has also been reported for the Ruthenium triazolopyrimidine complexes [18].…”

Section: Introductionsupporting

confidence: 79%

Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

Moustafa

Shibl

Hilal

et al. 2011

International Journal of Spectroscopy

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The electronic absorption spectra of triazolo pyrimidine and some of its derivatives were measured in polar as well as nonpolar solvents. Assignment of the observed transitions is facilitated via molecular orbital calculations. Charge density distributions, dipole moments, and the extent of delocalization of the MOS were used to interpret the observed solvent effects. The observed transitions are assigned as charge transfer (CT), localized, and delocalized according to the contribution of the various configurations in the CI-states. The correspondence between the calculated and experimental transition energies is satisfactory.

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Section: Introductionsupporting

confidence: 79%

Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

Moustafa

Shibl

Hilal

et al. 2011

International Journal of Spectroscopy

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“…Ligands containing pyrimidine rings are widely studied and their p-donor properties are interesting. Their combination with other donor atoms should in principle afford complexes with tunable spectroscopic properties [8][9][10]. The hydride ligand as a powerful r-donor is very efficient at compensating the electron deficiency at the metal center in hydride complexes.…”

Section: Introductionmentioning

confidence: 99%

A ruthenium(II) hydride carbonyl complex with 4-phenylpyrimidine as co-ligand

Małecki

Maroń

2012

Transition Met Chem

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The reaction of [RuHCl(CO)(PPh 3 ) 3 ] with 4-phenylpyrimidine gave a new ruthenium(II) complex, namely [RuHCl(CO)(PPh 3 ) 2 (pyrim-4-Ph)]. The complex has been studied by IR and UV-vis spectroscopy and by X-ray crystallography. The molecular orbitals of the complex have been calculated by density functional theory. The spin-allowed singlet-singlet electronic transitions of the complex have been calculated by time-dependent DFT, and the UV-vis spectrum of the compound has been discussed on this basis. The emission properties of the complex were also studied.

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“…Thus, the studies of electronic structures of complexes are an important area of chemistry. The basic researches reported in this article combine interest in ruthenium complexes and half-sandwich coordination compounds with N(O)-donors [18][19][20][21][22][23].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, molecular and electronic structures of half-sandwich ruthenium(II) complexes with pyrimidine-based ligands

Abstract: The electronic structures and UV-Vis spectra of the complexes have been calculated using the TD-DFT method.

Cited by 13 publications

References 37 publications

Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

A ruthenium(II) hydride carbonyl complex with 4-phenylpyrimidine as co-ligand

Half-sandwich ruthenium(II) complexes with N- and N,(N,O)-donor ligands: molecular, electronic structures, and computational study

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