Quantum chemical calculations of the compound B2(NHC )2 and a thorough examination of the electronic structure with an energy decomposition analysis provide strong evidence for the appearance of boron–boron triple bond character. This holds for the model compound and for the isolated diboryne B2(NHC )2 of Braunschweig which has an even slightly shorter B–B bond. The bonding situation in the mol...

Ultrafast infrared transient absorption measurements of the complete hydroxyl OD stretching mode spectrum of HOD in water, from 100 fs to tens of picoseconds, observe hydrogen bond breaking and monitor the equilibration of the hydrogen bond network in water. In addition, the vibrational lifetime, the time constant for hydrogen bond breaking, and the rate of orientational relaxation are determin...

Quantum chemical calculations of the compound B2(NHC )2 and a thorough examination of the electronic structure with an energy decomposition analysis provide strong evidence for the appearance of boron–boron triple bond character. This holds for the model compound and for the isolated diboryne B2(NHC )2 of Braunschweig which has an even slightly shorter B–B bond. The bonding situation in the mol...

Int J Exerc Sci 3(4) : 214-224, 2010. This study examined the effects of single set dynamic and static stretching on vertical jump height and hip and knee range of motion in a sample of college age recreational males. Forty-two healthy, physically active males (aged 18-24) voluntarily participated in this investigation and were randomly assigned to one of three groups (1 set of 20 seconds dynam...

That very strong coupling of the B-B bond-stretching E2g branch of phonons to the B 2pσ bonding hole states is responsible for the remarkable superconductivity in MgB2 is well established. This entirely new manner of driving the superconducting Tc to high levels requires additional analysis. Here recent findings, such as how this strong coupling is related to possible structural instability, ar...

We provide a simple explanation for X-H bond contraction and the associated blue shift and decrease of intensity in IR spectrum of the so-called improper hydrogen bonds. This explanation organizes hydrogen bonds (HBs) with a seemingly random relationship between the X-H bond length (and IR frequency and its intensity) to its interaction energy. The factors which affect the X-H bond in all X-H.....

A U(2) algebraic model is presented to describe stretching vibrations of XYn (n = 2, 3, and 4) systems, where anharmonic interactions between the bond modes are considered. This model in a limit corresponds to an anharmonically coupled local-mode model. As an example, the model for a molecule XY4 is applied to recently observed spectra of methane in both gas and liquid phases, and the results o...

Vibrational spectra of NO ligands adsorbed on cationic gold clusters are obtained using IR multiphoton dissociation spectroscopy. We observe a strong oscillation of the NO stretching frequency with increasing cluster size that reveals a clear odd-even dependence in the strength of the NO bond. For the corresponding CO complexes, no oscillation is found. This behaviour can be understood on the b...

To give and take : terminal ruthenium carbide complexes [(Cy3P)2X2Ru/C] (1; X=halide or pseudohalide), form charge-transfer adducts with I2 exhibiting large variation in bond lengths and stretching frequencies. This shows that the auxiliary ligand sphere on ruthenium enables control over the s-donor properties of carbide ligands, elucidating their isolobal relationship with carbon monoxide. Ang...

Dynamical properties of F –water and Cl –water hydrogen bond molecular dynamics simulations, in which the whole first hydration D95V+, 6-31+G and D95V++ basis sets for F , Cl and water, respe and shifts in the corresponding bending and stretching frequencies as ing the ions, F clearly acts as a structure-maker , while Cl solvat ments of the hydrogen bonds. 2005 Elsevier B.V. All rights reserved.