http://nopr.niscpr.res.in/handle/123456789/45952 Fri, 09 Oct 2026 17:42:30 GMT 2026-10-09T17:42:30Z http://nopr.niscpr.res.in/handle/123456789/46020 Title: A bond orbital approach to theoretical studies of molecular properties from a fully localised SCF method Authors: Sen, B K; Majee, B Abstract: The charge distributions, dipole moments and <em>J-J </em>coupling constants of some simple <i>σ</i>-bonded molecules have been calculated using a newly developed method within the framework of bond-orbital SCFMO approach that includes only the theoretically justified parameters and optimised hybrid orbitals. The results agree well with <em>ab initio </em>and some semi-empirical results. The computing times are extremely short. Page(s): 1-5 Wed, 01 Jan 1992 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/46020 1992-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/46019 Title: Effect of photodeposition of nickel on the photocatalytic, photoelectrochemical and surface properties of CdS Authors: Rufus, I Bernard; Viswanathan, B; Ramakrishnan, V; Kuriacose, J C Abstract: <em>In situ </em>deposition of ferromagnetic metals (Fe, Co and Ni) increases photocatalytic activity and also avoids the aerial oxidation of the metals. The deposition of sulphides of Fe, Co and Ni also enhances the photocatalytic activity of CdS. Effect of photodeposition of nickel on the photocatalytic activity of CdS for decomposition of aqueous sulphide has also been studied and compared with that of <em>in situ </em>photodeposition of Fe, Co, Rh and Pd. The following order of activity is observed: Rh > Pd > > Co > Ni - Fe. Apart from Ni⁰, the various Ni - O species which are formed by the aerial oxidation of Ni⁰ have been identified by XPS studies of the Ni/CdS surface. Phctodeposition of Ni increases the photocatalytic activity and the photostability of CdS. A mechanism for the photocatalytic decomposition of aqueous sulphide has been proposed. Photodeposition of Ni decreases the photocorrosion of CdS, photovoltage and photocurrent of the PEC cell and also shifts the photocurrent onset potential to a more positive value. Page(s): 6-11 Wed, 01 Jan 1992 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/46019 1992-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/46018 Title: A uranyl selective electrode based on neutral bidentate organo-phosphorus compounds Authors: Saleh, M B Abstract: Construction and performance characteristics of a selective uranyl-sensitive membrane electrode based on the use of tetraphenyl-<em>o</em>-xylyldiphosphine dioxide as a neutral bidentate carrier are described. The effect of tetra-(<em>p</em>-chloro-phenyl) borate (T<em>p</em>CIPB) as anion discriminator on both the detection limit and selectivity of the electrode has been studied. The electrode displays linear response over the concentration range 10^-1-10^-4m. UO<img src='http://www.niscair.res.in/jinfo/twoplustwo.gif' border=0> with a cationic slope of 26-29 mV/p UO₂ over the <i>p</i>H range 2.75- 3.25. High selectivity for UO<img src='http://www.niscair.res.in/jinfo/twoplustwo.gif' border=0> is offered over the cations Li⁺ , Na⁺ , K⁺ , NH<img src='http://www.niscair.res.in/jinfo/plusfour.gif' border=0>,Mg²⁺, Ca² + , Sr²⁺, Ba²⁺ , Mn²⁺ , Co²⁺ , Ni²⁺ , Cu²⁺ , Zn²⁺, Cd²⁺ and AI³⁺ Performance of the electrode has been compared with those of some other structurally different neutral bidentate organo-phosphorus ligands. Page(s): 12-16 Wed, 01 Jan 1992 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/46018 1992-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/46017 Title: Different binding modes of dimethylglyoxime (dmg-H₂) towards Ru(II) ion: Synthesis and structural characterization of [Ru^IICl₂( dmg-H₂)(DMSO)₂] and synthesis of [Ru^IICl(dmg-H₂)₂(DMSO)]Cl and [Ru^II(dmg-H)₂(DMSO)₂] Authors: Khan, M M Taqui; Paul, Parimal; Venkatasubramanian, K Abstract: The reaction of the ligand dimethylglyoxime (dmg-H₂) with <i>cis</i>-RuCI₂(DMSO)₄ in 2:1 molar ratio in dichlorornethane-methanol mixture results in the formation of a mixture of two complexes of compositions, [RuCl₂(dmg-H₂)(DMSO)₂] (<strong>1</strong>) and [RuCI(dmg-H₂)₂(DMSO)]Cl (<strong>2</strong>). These two complexes have been separated by column chromatography and characterized. The molecular structure of [RuCl₂ (dmg- H₂)(DMSO)₂ (<strong>1</strong>) has been established by single crystal X-ray study. When the same reaction is conducted in DMF at 100° the ligand deprotonates with the formation of another complex, [Ru(dmg-H)₂(DMSO)₂] (<strong>3</strong>). The geometry of these complexes (<strong>1-3</strong>) has been established on the basis of IR, ¹H and ¹³C {¹H} NMR spectral data. Page(s): 17-22 Wed, 01 Jan 1992 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/46017 1992-01-01T00:00:00Z