A series of heteroleptic Ir(III) metal complexes 1-3 bearing two N-phenyl-substituted pyrazoles and one 2-pyridyl pyrazole (or triazole) ligands were synthesized and characterized to attain highly efficient, room-temperature blue phosphorescence. The N-phenylpyrazole ligands, dfpzH = 1-(2,4-difluorophenyl)pyrazole, fpzH = 1-(4-fluorophenyl)pyrazole, dfmpzH = 1-(2,4-difluorophenyl)-3,5-dimethylp...

We have prepared some 3d-4f cyanide-bridged Ln(DMF)4(H2O)3Fe(CN)6•H2O complexes (Ln = Ce, Sm, Nd, and Gd; DMF = N,N-dimethylformamide) by substituting isotopes to H-substituted H2O and DMF and O-substituted H2O (and normal Hand O-H2O or H-DMF). We examined their crystal structures exhibiting negative thermal expansion and compared in view of hydrogen bonds and lanthanide contraction. Magnetic p...

Stability of the ;-; stacking interactions in the substituted-coronene||cyclooctatetraene complexes wasstudied using the computational quantum chemistry methods (where || denotes ;–; stackinginteraction, and substituted-coronene is coronene which substituted with four similar X groups; X =OH, SH, H, F, CN, and NO). There are meaningful correlations between changes of geometricalparameters and t...

stability of the ;-; stacking interactions in the substituted-coronene||cyclooctatetraene complexes wasstudied using the computational quantum chemistry methods (where || denotes ;–; stackinginteraction, and substituted-coronene is coronene which substituted with four similar x groups; x =oh, sh, h, f, cn, and no). there are meaningful correlations between changes of geometricalparameters and t...

This paper reports the syntheses, crystal structures and magnetic properties of Mn(III) hexadentate Schiff base complexes [Mn(4-OH-sal-N-1,5,8,12)]NO3(1) [Mn(4-OH-sal-N-1,5,8,12)]ClO4(2), where (4-OH-sal-N-1,5,8,12)2? (4,4?-((1E,13E)-2,6,9,13-tetraazatetradeca-1,13-diene-1,14-diyl)bis(3-methoxyphenol) is a new hydroxyl-substituted ligand. The introduction ligand induces more hydrogen bonding in...

Lanthanide(III) chloro complexes of 4[N-(4’-hydroxy-3’-methoxybenzalidene) amino] antipyrine semicarbazone (HMBAAPS) (I) and 4[N-(3’,4’,5’-trimethoxybenzalidene) amino] antipyrine semicarbazone (TMBAAPS) (II) with the general composition LnCl3.2L (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy or Ho; L = HMBAAPS or TMBAAPS) are reported. All the complexes were synthesized in ethanolic medium and refluxed the ...

A series of cyclometalated N-heterocyclic carbene complexes of the general formula [Ir(C^N)2(C^C:)] has been prepared. Two sets of compounds were designed, those where (C^C:) represents a bidentate naphthalimide-substituted imidazolylidene ligand and (C^N) = ppy (3a), F2ppy (4a), bzq (5a) and those where (C^C:) represents a naphthalimide-substituted benzimidazolylidene ligand and (C^N) = ppy (3...