Inorganic Chemistry

Laboratory Information System (LIS) streamlines workflow in the laboratory and eliminates time-consuming paperwork. The business today is getting increasingly pressured to be more productive and efficient with less traditional resources. If we look at a typical production process, for instance, the level of automation and optimization that has permeated into the production floor is quite astounding. Many industries have had a tremendous impact in bringing to the market the automation and optimization solutions to streamline -the production floor. The other ends of the spectrum are the back-office transaction oriented processes like Inventory Management, Materials Management, Financials and so on, Therefore a lab’s ability to process data quickly and its ability to disseminate that information efficiently throughout the plant is vital for the success of the production process. Laboratory Information Management System (LIMS) can help in managing the information flow within the lab and can be the modus operandi of connecting the lab with the rest of the organization. For instance, imagine all the information that is generated in a lab.

High-level composite, ab initio and density functional theory (DFT) procedures have been employed to study O–H bond dissociation energies (BDEs), as well as radical stabilization energies (RSEs) in the oxygen-centred radicals that are formed in the dissociation of the O–H bonds. Benchmark values are provided by Wn results up to W3.2 and W4.x. We are able to recommend revised BDE values for FO–H (415.6 ± 3 kJ mol–1), MeC(O)O–H (459.8 ± 6 kJ mol–1) and CF3CH2O–H (461.9 ± 6 kJ mol–1) on the basis of high-level calculations. We find that Gn-type procedures are generally reliable and cost-effective, and that some contemporary functionals and double-hybrid DFT procedures also provide adequate O–H BDEs/RSEs. We note that the variations in the O–H BDEs are associated with variations in the stabilities of not only the radicals but also the closed-shell precursor molecules. Most substituents destabilize both species, with σ-electron-withdrawing groups having larger destabilizing effects, whil...

The preparation of three new examples of water insoluble host/guest assemblies of the general composition:[(R4N)(Me3Sn) 2M (CN) 6· zH2O](R= n-propyl or n-pentyl, M= Fe or Co, 0≤ z≤ 2) from likewise polymeric super-Prussian-blue derivatives [(Me3Sn) 3M (CN) ...

Macrocyclic complexes of Mn(II) were synthesized by template condensation using 2,6-diaminopyridine and diethylenetriamine with malonic, succinic, glutaric and adipic acids. The reaction proceeded smoothly to completion. These 16- to 24-membered N(6), but behaving as tetradentate, macrocyclic complexes were characterized by elemental analyses, molecular weight determinations, infrared, electronic, mass and X-ray spectral analyses. The elemental analyses are consistent with the formation of complexes [Mn(N(6)L(n))Cl(2)]. All the complexes are stable and monomeric in nature, as indicated by the molecular weight determinations. The spectral studies confirmed the proposed framework of the new macrocyclic complexes and indicated an octahedral geometry around the central metal atom. The complexes were screened in vitro against a number of pathogenic fungi and bacteria to assess their growth-inhibiting potential. The testicular sperm density, sperm morphology, sperm motility, density of ca...