the potential function of lippincott and schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. the parameters originally introduced to the potential function by lippincott and schroeder have been determined from the structural parameters such as 0.. .odistance 0-h bond distance, h.. .o distance and hoo angle. thevalidity of harmonic oscillator approxim...

Vibrational energy transfer from the first excited state 2252 cm−1 of the C–D stretch of deuterated chloroform DCCl3 to the 0-1 transition 2155 cm−1 of the CN stretch of phenyl selenocyanate C6H5SeCN in their 1:1 liquid mixture was observed with a pump/probe two-color two dimensional infrared spectroscopic technique. The mode-specific energy transfer can occur mainly because of the long vibrati...

Local vibrational modes ~LVMs! are reported for Mg-doped GaN grown by metalorganic chemical vapor deposition. Hetero-epitaxial layers of GaN:Mg, either as-grown, thermally activated, or deuterated, were investigated with low-temperature, Fourier-transform infrared absorption spectroscopy. The as-grown material, which was semi-insulating, exhibits a LVM at 3125 cm. Thermal annealing increases th...

The Li+-(H2)n n=1-3 complexes are investigated through infrared spectra recorded in the H-H stretch region (3980-4120 cm-1) and through ab initio calculations at the MP2/aug-cc-pVQZ level. The rotationally resolved H-H stretch band of Li+-H2 is centered at 4053.4 cm-1 [a -108 cm-1 shift from the Q1(0) transition of H2]. The spectrum exhibits rotational substructure consistent with the complex p...

Supported manganese oxide catalysts were prepared by the impregnation of alumina foam blocks washcoated with alumina and silica. The manganese content based on the weight of the washcoats was 10 wt % calculated as MnO2. Fourier transform profiles of the Mn K-edge EXAFS spectra for these samples gave three distinctive peaks at 0.15, 0.25, and 0.32 nm and were close to the profiles of Mn3O4 and b...