1,3-Dipolar addition of diethyl diazomethylphosphonate onto a CN double bond. Synthesis of triazolinyl and aziridinyl phosphonates

Cycloaddition of diethyl 1-diazomethylphosphonate onto a CN double bond is described. It was found that the reaction of this phosphorus diazomethane with benzylidene-alkyl-amines resulted in the formation of (1-alkyl-5-phenyl-4,5-dihydro-1H-[1,2,3]triazol-4-yl)-phosphonic acid diethyl esters, whereas its reaction with methylene-aryl-amines, generated from the corresponding hexahydro-1,3,5-triazines, led to diethyl esters of (aziridin-2-yl)-phosphonic acid.     

Heterogeneous reactions of K3[MoCl6] and K4[Mo2Cl8] with nitrogen oxide

Summary The heterogeneous reactions of K₃[MoCl₆] and K₄[Mo₂Cl₈] with nitrogen oxide were examined. The products,i.e. the nitrite complex K₄[Mo₂Cl₆(NO₂)₂], KCl and NOCl were identified and the mechanism associated with their production proposed. The nitrosyl complex is an intermediate, while the final product is thought to be a dimer with two chloride bridges and with nitrite groups, coordinated through O-atoms, as chelating ligands. The nitrite complex was characterised spectroscopically.     

Theoretical investigation of the uranyl ion sorption on the rutile TiO2(110) face

Canister integrity and radionuclide retention is of first importance for assessing the long-term safety of nuclear waste stored in engineered geologic depositories. Uranyl ion sorption on the TiO(2) rutile (110) face is investigated using periodic density functional theory (DFT) calculations. From experimental observations, only two uranyl surface complexes are observed and characterized. When the pH increases (from 1.5 to 4.5), the relative ratios of these two surface complexes are modified. From a crystallographic point of view, three sorption sites can be considered and have been studied with different protonation states of the surface to account for very acidic and low acidic conditions. The two surface complexes experimentally observed were calculated as the most stable ones, while the evolution of their sorption energies agrees with experimental data.     

Review of AdS/CFT Integrability: An Overview

This is the introductory chapter of a review collection on integrability in the context of the AdS/CFT correspondence. In the collection, we present an overview of the achievements and the status of this subject as of the year 2010.     

On multiplicity correlations in the STAR data

The STAR data on the multiplicity correlations between narrow pseudorapidity bins in the pp and AuAu collisions are discussed. The PYTHIA 8.145 generator is used for the pp data, and a na?ve superposition model is presented for the AuAu data. It is shown that the PYTHIA generator with default parameter values describes the pp data reasonably well, whereas the superposition model fails to reproduce the centrality dependence seen in the data. Some possible reasons for this failure and a comparison with other models are presented.     

The unusual stereochemical behavior in the addition of phosphites to N‐1‐naphthyl terephthalic and isophthalic Schiff bases

The reaction of N‐α‐naphthylimines of terephthalic and isophthalic aldehydes with dialkyl and diaryl phosphites gave corresponding N‐α‐naphthylamino‐phosphonates in fair yields. An unusual stereochemical behavior was observed and the explanation for such a phenomenon was suggested. © 2001 John Wiley & Sons, Inc. Heteroatom Chem 12:27–32, 2001     

A new method for modelling spectator chemical groups in ab initio calculations: effective group potentials

 A new method for an increased numerical efficiency of ab initio calculations is proposed. It is based on the assumption that in most cases chemical properties of functional groups in molecules are mainly controlled by a few electrons. This statement allows one to distinguish between two classes of nuclei and electrons: active and inactive ones. The effective group potential (EGP) method presupposes that the effect of inactive electrons in a functional chemical group can be described by a pseudopotential, in the same way that core electrons are replaced by effective core potentials in atoms. It is shown that EGPs are able to predict chemical and structural features of the active part of a molecule and at a fraction of the ordinary computational cost. The preliminary results reported here concern the determination of EGPs for ammonia, the methyl radical and the cyclopendadienyl ligand, which represent different types of bonding. Received: 15 September 1999 / Accepted: 3 February 2000 / Published online: 2 May 2000     

Nitroanilinomethanephosphonates derived from ferrocene and nitrobenzaldehyde

A series of new aminophosphonates derived from ferrocene and nitrobenzene were synthesized. They were characterized by means of the ¹H and ³¹P NMR spectroscopy as well as by their elemental analysis. Synthesis of esters was carried out without solvent as refluxing of the reagents in toluene or in acetonitrile gave no results. © 2003 Wiley Periodicals, Inc. Heteroatom Chem 14:144–148, 2003; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.10128