Experimental and theoretical evidences of C-H…O hydrogen bonding in liquid 4-fluorobenzaldehyde Abstract The presence of C-H⋅⋅⋅O hydrogen bonds in liquid 4-fluorobenzaldehyde has been studied by a combination of theoretical and spectroscopic methods. Ab initio calculations yielded bond energies and preferred bonding geometries, and the calculated spectroscopic properties have been compared with the experimental results. The…

Immobilisation of rhodium acetonitrile complexes in ordered mesoporous silica Abstract Rhodium acetonitrile complexes have been immobilised in the mesoporous silica MCM-41 by pore volume impregnation of a solution of the compound [Rh2(CH3CN)10](BF4)4 in acetonitrile. Powder XRD and N2 adsorption–desorption analysis of the derivatised material confirmed that the textural properties of the hexagonally ordered host were…

Encapsulation of cyano(cyclopentadienyl) complexes of iron with b-cyclodextrin Abstract Inclusion compounds have been prepared comprising g -cyclodextrin (CD) molecules as the host and half-sandwich cyano complexes of iron as the guests. High yields of crystalline one-to-one adducts were obtained by treatment of CpFe(CO) 2 CN and K[CpFe(CO)(CN) 2 ] with g -CD. In the case…

C-H···O Bonded Dimers in 2-Methoxy-Benzaldehyde Studied by X-ray Crystallography, Vibrational Spectroscopy, and Ab initio Calculations. Abstract The crystal structure of 2-methoxy-benzaldehyde reveals the presence of several intra- and intermolecular C–H⋯O short contacts, the strongest one forming a dimer linked by the CO and C(3)–H groups of adjacent molecules. In the liquid state, the occurrence of…

The effect of trimethylsilyl substituents on the ring-slippage of bis-indenyl-molybdenocene derivatives Abstract A group of new trimethylsilyl indenyl derivatives of molybdenum is reported, starting from the allyl compound TMSIndMo(η3-C3H5)(CO)2 [TMSInd=η3-SiMe3C9H6]. The novel allyl Mo(II) complex, which is synthesized by the reaction of Mo(η3-C3H5)(CO)2(NCMe)2Cl with Li(TMSInd) in THF, is the precursor to trimethylsilyl indenyl derivatives. Treatment…