Dihydrogen bonding in main group elements: a case study of complexes of LiH, BH3, and AlH3 with third-row hydrides

Article Abstract:

The occurrence of dihydrogen bonds in the main group elements was studied by a systematic investigation. The complexes of BH3, AlH3 and LiH with the third-row hydrides, viz. Hcl, H2S and PH3, as well as their dimers were studied at the ab initio MP2 level of theory and were compared with the corresponding second-row hydrides. The predominance of electrostatic component followed by polarization and charge transfer was revealed by the decomposition analysis of interaction energy of dimers.

Research

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UV Raman Spectroscopic study on TiO2. I. Phase transformation at the surface and in the bulkUV Raman Spectroscopic study on TiO2. I. Phase transformation at the surface and in the bulk

Article Abstract:

Phase transformation of TiO2 from anatase to rutile is studied by UV Raman spectroscopy excited by 325 and 244 nm lasers, visible Raman spectroscopy excited by 532 nm laser, X-ray diffraction (XRD), and transmission electron microscopy (TEM). UV Raman spectroscopy is found to be more sensitive to the surface region of TiO2 than visible Raman spectroscopy and XRD because TiO2 strongly absorbs UV light.

Phase transformations (Statistical physics), Phase transitions (Physics), Titanium dioxide, Chemical properties

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Dihydrogen bonding under high pressure: a Raman study of BH3NH3 molecular crystal

Article Abstract:

The effects of high pressures (up to 40 kbar) on the dihydrogen-bonded BH3NH3 molecular crystal were investigated using Raman spectroscopy in diamond and moissanite anvil cells. The stretching mode frequencies of the NH3 proton donor groups exhibited moderate red shifts with increasing pressures, as found in many conventional hydrogen-bonded systems of weak to medium strength.

Methods, High pressure chemistry, Red shift, Redshift

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