Dependence of Total p-Electron Energy on the Number of Non-Bonding Molecular Orbitals

In recent work [Gutman et al. (2004) Chem Phys Lett 383: 171] a method was developed by means of which the influence of non-bonding molecular orbitals (NBMOs) on the value of total -electron energy (E) can be separated from the multitude of other molecular-structure-dependent effects. We now extend this method and establish the relation between E and the number n ₀ of NBMOs. It is shown that E (when computed within the HMO approximation, and expressed in the units of the HMO resonance integral ) is a decreasing function of n ₀, and that the dependence of E on n ₀ is almost perfectly linear.     

The first example of a sigma(2)lambda(2)-dioxaphosphenium cation, stabilized by an intramolecular dative P(+) <-- S bond

[structure in text] The first example of a sigma(2)lambda(2)-dioxaphosphenium cation 5 bearing dioxathiophosphocin ring systems stabilized by an intramolecular dative P(+) <-- S bond and its reactivity with pyridine and cycloaddition reaction with 2,3-dimethylbutadiene are reported.     

Trends in microdisk laser research and linear optical modelling

Research into microdisk lasers demonstrates new achievements both in the technology and in the associated physical effects and applications. Melting and rounding of the disk edge boosts the Q-factors due to improved surface smoothness. In-plane cavity shape is widely used as a design instrument. Optimal shaping of pumped area lowers the threshold power. Photonic molecules made of several microdisks as “photonic atoms” show lasing at several closely spaced frequencies. A microdisk with a single quantum dot as an active region is considered as the most promising system for realisation of a single photon emitter necessary for quantum computing. These new effects and devices can be simulated with accurate numerical techniques, developed recently for “warm-cavity” linear modelling, that are able to bring a new vision of the physics of lasing.     

Reaction of primary phosphines with elemental sulfur and alkali metal hydroxides (MOH, M = Na, K, Cs): a novel and facile three-component synthesis of trithiophosphonates

Primary phosphines readily react with elemental sulfur and alkali metal hydroxides (MOH, M = Na, K, Cs) in the molar ratio 1:3:2 under mild conditions (70 °C, 0.5 h, ethanol) to afford alkali metal trithiophosphonates in good to high yields (72-90%).     

New 5-arylamino-4-(5-nitrofuran-2-yl)pyrimidines as promising antibacterial agents

A facile synthetic approach to 5-arylamino-4-(5-nitrofuran- 2-yl)pyrimidines by the Buchwald–Hartwig cross-coupling with various anilines has been developed. All synthesized compounds demonstrated a significant level of in vitro antibacterial activity against Neisseria gonorrhoeae, Streptococcus pyogene and Staphylococcus aureus, including their drug-resistant strains, which is much higher than that of the commercial drug Spectinomycin.