The electronic structure and chemical bonding in donor-acceptor complexes formed by group 13 element adamantane and perfluorinated adamantane derivatives EC9 R'15 (E = B, Al; R' = H, F) with Lewis bases XR3 and XC9 H15 (X = N, P; R= H, CH3 ) have been studied using energy decomposition analysis at the BP86/TZ2P level of theory. Larger stability of complexes with perfluorinated adamantane deriva...

Two rapid, simple and sensitive extractive specrophotometric methods has been developed for the assay of Hyoscine butyle bromide (HBB), losartan potassium (LSR) and Sertaline HCl (SER) in bulk and in their pharmaceutical formulations. The proposed methods depend upon the reaction of cobalt(II)–thiocyanate (method A) and molybdenum(V)–thiocyanate ions (method B) with the cited drugs to form stab...

Nonadiabatic interactions in the NeICI van der Waals complex have been explored in the lowest energy triad ofICI ion-pair states (~39 000 cm-I). Dispersed fluorescence measurements reveal emission characteristic of multiple ion-pair electronic states, with the relative contributions from the E(0 +), P(1), and D I (2) states changing with the initial ICI vibrational excitation (VICI)' Emission d...

Two simple and selective spectrophotometric methods have been proposed for the determination of gabapentin (GBP) in pure form and in capsules. Both methods are based on the proton transfer from the Lewis acid such as 2,4,6-trinitrophenol (picric acid; PA) or 2,4-dinitrophenol (2,4-DNP) to the primary amino group of GBP which works as Lewis base and formation of yellow ion-pair complexes. The io...

The dication of tetrakis(dimethylamino)ethene (TDAE2+) forms ion pair complexes with [M(mnt)2]2~, mnt2= maleonitrile-2,3-dithiolate, M(II) = Ni, Pd, Pt, and Zn. According to X-ray analysis the structure of {TDAE2+[Pt(mnt)2]2~ } consists of a chain-like arrangement of planar dianions and twisted (71°) dications. Shortest interionic contacts are 11 pm longer than the corresponding van der Waals r...

Zinc is one of the most important metal ions found in proteins performing specific functions associated with life processes. Coordination geometry of the zinc ion in the active site of the metalloprotein-ligand complexes poses a challenge in determining ligand binding affinities accurately in structure-based drug design. We report here an all atom force field based computational protocol for es...

Precipitates of polyelectrolyte complexes were transformed into rugged shapes suitable for bioimplants by ultracentrifugation in the presence of high salt concentration. Salt ions dope the complex, creating a softer material with viscous fluid-like properties. Complexes that were compacted under the centrifugal field (CoPECs) were made from poly(diallyldimethyl ammonium), PDADMA, as polycation,...

Supramolecular photochemistry as well as solar cells are fascinating topics of current interest in Inorganic Photochemistry and very active research fields which have attracted wide attention in last two decades. A brief outline of the investigations in these fields carried out in our Laboratory of Inorganic Photochemistry and Energy Conversion is given here with no attempt of an exhaustive cov...