Articles

C–H···O Hydrogen Bonding in 4-Phenyl-Benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study. Abstract The crystal structure of 4-phenyl-benzaldehyde reveals the presence of a dimer linked by the C[double bond, length as m-dash]O and C(9)–H groups of adjacent molecules. In the liquid phase, the presence of C–H⋯O bonded forms is revealed by both vibrational and NMR…

Structure-photoluminescence relationship in Eu(III) b-diketonate-based organic/inorganic hybrids. Influence of the synthesis method: carboxylic acid solvolysis versus conventional hydrolysis Abstract Organic–inorganic hybrids incorporating Eu(nta)3·bpy (where nta and bpy stand for 1-(2-naphthyl)-4,4,4-trifluoro-1,3-butanedionate and 2,2′-bipyridine, respectively) were prepared either by acetic acid solvolysis or a conventional hydrolysis sol–gel route. The host framework of these materials, classed as di-ureasil,…

C-H···O Hydrogen Bonds in Small Ring Carbonyl Compounds: Vibrational Spectroscopy and Ab initio Calculations. Abstract The effect of the molecular structure on the properties of C-H⋅s O bonds was investigated in a set of small cyclic carbonyl compounds, using vibrational spectroscopy and ab initio calculations. Two main effects were studied: the size of the ring…

Investigation of europium(III) and gadolinium(III) complexes with naphthoyltrifluoroacetone and bidentate heterocyclic amines. Abstract Lewis base adducts of the type Ln(NTA)3·phen and the binuclear complexes [Ln(NTA)3]2·bpym [NTA=1-(2-naphthoyl)-3,3,3-trifluoroacetone, phen=1,10-phenanthroline, bpym=2,2′-bipyrimidine; Ln=Eu, Gd] have been prepared by replacement of the coordinated water molecules in the complexes Ln(NTA)3·2H2O. The compounds were characterised by elemental analysis, 1H NMR, X-ray diffraction…

The role of C-H···O interactions in the solid and liquid-phase structures of methyltrioxo rhenium. Abstract The importance of C–H···O hydrogen bonds involving the less common Re=O acceptor group in the small organometallic methyltrioxorhenium (MTO) is studied by combined vibrational spectroscopy and ab initio calculations. The observed vibrational spectrum is well described by the calculated spectrum…