TY - JOUR

T1 - Syntheses, Structures, and Photophysical Properties of Eu and Lu Diketonates with a Neutral Polydentate Imidazolylmethanamine Ligand

AU - Kisel, K.S.

AU - Linti, G.

AU - Starova, G.L.

AU - Sizov, V.V.

AU - Melnikov, A.S.

AU - Pushkarev, A.P.

AU - Bochkarev, M.N.

AU - Grachova, E.V.

AU - Tunik, S.P.

PY - 2015

Y1 - 2015

N2 - © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.The Schiff base NNO ligand 1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-4-yl)methylene]methanamine was synthesized and structurally characterized by XRD crystallography, mass spectrometry, and NMR spectroscopy. Quantum-chemical calculations revealed conformational flexibility of the ligand backbone to give two different conformations with nearly equal ground-state energies. The orientation of two nitrogen atoms and the oxygen atom in one conformation is a good fit for the NNO tridentate coordination mode, whereas the other would allow the NN coordination mode only. Two lanthanide complexes [Ln(tta)3(NNO)] (Ln = EuIII and LuIII; tta = thenoyltrifluoroacetone) were prepared and studied spectroscopically. The structures of the complexes were optimized by the DFT approach. The NNO ligand in the Eu complex displays tridentate NNO coordination, whereas the ligand is only NN-coordinated in the Lu complex. The Eu complex shows bright red metal-centered phosphorescence under excitati

AB - © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.The Schiff base NNO ligand 1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-4-yl)methylene]methanamine was synthesized and structurally characterized by XRD crystallography, mass spectrometry, and NMR spectroscopy. Quantum-chemical calculations revealed conformational flexibility of the ligand backbone to give two different conformations with nearly equal ground-state energies. The orientation of two nitrogen atoms and the oxygen atom in one conformation is a good fit for the NNO tridentate coordination mode, whereas the other would allow the NN coordination mode only. Two lanthanide complexes [Ln(tta)3(NNO)] (Ln = EuIII and LuIII; tta = thenoyltrifluoroacetone) were prepared and studied spectroscopically. The structures of the complexes were optimized by the DFT approach. The NNO ligand in the Eu complex displays tridentate NNO coordination, whereas the ligand is only NN-coordinated in the Lu complex. The Eu complex shows bright red metal-centered phosphorescence under excitati

U2 - 10.1002/ejic.201403186

DO - 10.1002/ejic.201403186

M3 - Article

SP - 1734

EP - 1743

JO - Berichte der deutschen chemischen Gesellschaft

JF - Berichte der deutschen chemischen Gesellschaft

SN - 0365-9496

IS - 10

ER -