Photophysical properties and computational investigations of tricarbonylrhenium(I)[2-(4-methylpyridin-2-yl)benzo[d]-X-azole]L and tricarbonylrhenium(I)[2-(benzo[d]-X-azol-2-yl)-4-methylquinoline]L derivatives (X=N–CH3, O, or S; L=Cl−, pyridine)

Albertino, Andrea; Garino, Claudio; Simona, Ghiani; Gobetto, Roberto; Nervi, Carlo; Salassa, Luca; Rosenberg, Edward; Sharmin, Ayesha; Viscardi, G.; Buscaino, Roberto; Croce, Gianluca; Milanesio, Marco

doi:10.1016/j.jorganchem.2006.11.004

Cited by 67 publications

(24 citation statements)

References 45 publications

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“…This approach has precedent in the literature for determining the excited-state structures and electron distributions associated with metal complexes containing diimine and π-acceptor ligands. [36] The four most intense absorptions of 2 (calculated at 336, 330, 311 and 306 nm) are of the MLLCT type. The corresponding EDDMs (Figure 3) show two transitions at 336 and 330 nm involving charge transfer from the metal (with the contribution of the SCN ligand) to the two pyridine rings, and two transitions at 311 and 306 nm involving charge transfer from the metal (with some contribution from the SCN ligand) to the triphenylphosphane.…”

Section: Electrochemical and Photoluminescence Propertiesmentioning

confidence: 96%

Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)₂ or (L′‐NN)}(PPh₃)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

et al. 2008

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The syntheses, spectroscopic characterization (IR, 1H and 31P NMR, ESI‐MS) and conductivity studies of the mixed N,P‐donor complexes of copper(I) thiocyanate: [Cu(NCS)(py)2(PPh3)], (2), [Cu(NCS)(Mepy)(PPh3)]2, (3), [Cu(NCS)(phen)(PPh3)], (4), [Cu(NCS)(bpy)(PPh3)], (5), [Cu(NCS)(bpy)(PPh2py)], (6), [Cu(NCS)(py)(PPh2py)], (7), (py = pyridine; Mepy = 2‐methylpyridine; phen = 1,10‐phenanthroline, bpy = 2,2′‐bipyridyl), together with single‐crystal X‐ray structural characterizations of 2, 3, 4 (new polymorph), 5 and 6 are reported, which provides an opportunity to study the effect of the introduction of a pair of nitrogen donors, both unidentate and chelate, on the bonding parameters of the Cu/NCS/P system. Cu–P and Cu–N2(ar) are found to be similar [2.1974(5) and 2.091(2), 2.070(1) Å for py2 adduct 2, cf. 2.1748(9)–2.200(1) and 2.071(2)–2.106(4) Å for the counterpart values for bidentate adducts 4–6]. However, Cu–N(CS) and Cu–N–C are 2.013(2) Å and 157.4(2)° for py2 adduct 2 and 1.946(2)–1.981(8) Å and 166.7(2)–176.58(2)° for bidentate counterparts 4–6. The change is attributed primarily to the closure in the N–Cu–N angle [99.58(8)° for py2 2; 77.7(6)–80.5(3)° for N∧N‐bidentate donors 4–6]. In consequence of the increased steric profile of the Mepy ligand, we find the stoichiometry diminished to 1:1:1, which resulted in theformation of [(Ph3P)MepyCu(SCNNCS)Cu(Mepy)(PPh3)] dimers.TDDFT/CPCM calculations were used to clarify the type of transitions involved in the UV/Vis absorption spectra, and the corresponding experimental photoemission data wereacquired. The 31P CPMAS spectra of the copper derivatives exhibit distorted quartets that afford values for 1JCu,P. Furthermore, the quadrupole‐induced distortion factors were calculated, and in the cases of 2, 4 and 5, the quadrupole coupling constants were obtained, on the basis of the X‐ray structures.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

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Section: Electrochemical and Photoluminescence Propertiesmentioning

confidence: 96%

Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)₂ or (L′‐NN)}(PPh₃)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

et al. 2008

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“…Recently, we reported photophysical and computational studies of [Re(CO) 3 {2-(4-methyl pyridine-2-yl) benzo[d]-X-azol}L] and [Re(CO) 3 {2-(4-methylpyridine-2-yl) benzo[d]-X-azol-2-yl}(4-methylquinolin)L] + . The purpose of these studies was to investigate the effect of the organic ligand on the optical properties and electronic structure of the reported complexes [22]. The results showed that the photophysical properties depended on the nature of X (N > S > O) and L (py and Cl).…”

Section: Introductionmentioning

confidence: 99%

Tuning photophysical properties with ancillary ligands in Ru(II) mono-diimine complexes

Sharmin¹,

Darlington²,

Hardcastle³

et al. 2009

Journal of Organometallic Chemistry

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The series of complexes [XRu(CO)(L–L)(L′)2][PF6] (X = H, TFA, Cl; L–L = 2,2′-bipyridyl, 1,10-phenanthroline, 5-amino-1,10-phenanthroline and 4,4′-dicarboxylic-2,2′-bipyridyl; L′2 = 2PPh3, Ph2 PC2H4PPh2, Ph2PCH═CHPPh2) have been synthesized from the starting complex K[Ru(CO)3(TFA)3] (TFA = CF3CO2) by first reacting with the phosphine ligand, followed by reaction with the L–L and anion exchange with NaPF6. In the case of L–L = phenanthroline and L′2 = 2PPh3, the neutral complex Ru(Ph3P)(CO)(1,10-phenanthroline)( TFA)2 is also obtained and its solid state structure is reported. Solid state structures are also reported for the cationic complexes where L–L = phenanthroline, L2 = 2PPh3 and X = Cl and for L–L = 2,2′-bipyridyl, L2 = 2PPh3 and X = H. All the complexes were characterized in solution by a combination of 1H and 31P NMR, IR, mass spectrometry and elemental analyses. The purpose of the project was to synthesize a series of complexes that exhibit a range of excited-state lifetimes and that have large Stokes shifts, high quantum yields and high intrinsic polarizations associated with their metal-to-ligand charge-transfer (MLCT) emissions. To a large degree these goals have been realized in that excited-state lifetimes in the range of 100 ns to over 1 μs are observed. The lifetimes are sensitive to both solvent and the presence of oxygen. The measured quantum yields and intrinsic anisotropies are higher than for previously reported Ru(II) complexes. Interestingly, the neutral complex with one phosphine ligand shows no MLCT emission. Under the conditions of synthesis some of the initially formed complexes with X = TFA are converted to the corresponding hydrides or in the presence of chlorinated solvents to the corresponding chlorides, testifying to the lability of the TFA Ligand. The compounds show multiple reduction potentials which are chemically and electrochemically reversible in a few cases as examined by cyclic voltammetry. The relationships between the observed photophysical properties of the complexes and the nature of the ligands on the Ru(II) is discussed.

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“…(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008) states [7][8][9][10][11] were used to estimate the nature of admixture between metal and ligand orbitals and the character of optically active states.…”

Section: Introductionmentioning

confidence: 99%

Spectroscopic and Computational Study on New Blue Emitting ReL(CO)₃Cl Complexes Containing Pyridylimidazo[1,5‐a]pyridine Ligands

et al. 2008

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Photophysical properties and computational investigations of tricarbonylrhenium(I)[2-(4-methylpyridin-2-yl)benzo[d]-X-azole]L and tricarbonylrhenium(I)[2-(benzo[d]-X-azol-2-yl)-4-methylquinoline]L derivatives (X=N–CH3, O, or S; L=Cl−, pyridine)

Cited by 67 publications

References 45 publications

Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)₂ or (L′‐NN)}(PPh₃)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)₂ or (L′‐NN)}(PPh₃)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

Tuning photophysical properties with ancillary ligands in Ru(II) mono-diimine complexes

Spectroscopic and Computational Study on New Blue Emitting ReL(CO)₃Cl Complexes Containing Pyridylimidazo[1,5‐a]pyridine Ligands

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Photophysical properties and computational investigations of tricarbonylrhenium(I)[2-(4-methylpyridin-2-yl)benzo[d]-X-azole]L and tricarbonylrhenium(I)[2-(benzo[d]-X-azol-2-yl)-4-methylquinoline]L derivatives (X=N–CH3, O, or S; L=Cl−, pyridine)

Cited by 67 publications

References 45 publications

Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)2 or (L′‐NN)}(PPh3)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)2 or (L′‐NN)}(PPh3)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

Tuning photophysical properties with ancillary ligands in Ru(II) mono-diimine complexes

Spectroscopic and Computational Study on New Blue Emitting ReL(CO)3Cl Complexes Containing Pyridylimidazo[1,5‐a]pyridine Ligands

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Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)₂ or (L′‐NN)}(PPh₃)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

Synthesis, Characterization, Spectroscopic and Photophysical Properties of New [Cu(NCS){(L‐N)₂ or (L′‐NN)}(PPh₃)] Complexes (L‐N, L′‐NN = Aromatic Nitrogen Base)

Spectroscopic and Computational Study on New Blue Emitting ReL(CO)₃Cl Complexes Containing Pyridylimidazo[1,5‐a]pyridine Ligands