Scattering Problem for a Classical Particle with Spin in a Coulomb Field

We investigate the scattering problem for a relativistic electron with spin in a Coulomb field in the framework of pseudoclassical mechanics. We obtain an analytic expression for the scattering angle and limiting estimates for the scattering parameters for the spinless and nonrelativistic cases. For small angles, the pseudoclassical model under consideration leads to the well-known quantum-mechanical Mott formula.     

Reaction of dihydroxymethylphenylphosphine with o-phenylenediamine

Conclusions The reaction of o-phenylenediamine with either one or two moles of dihydroxymethylphenylphosphine gives respectively either 3-phenyl-6,7-benzo-1,5-diaza-3-phosphepane or 9,10-benzo-3,7-diphenyl-1,5-diaza-3,7-diphosphabicyclo[3.3.2]decane.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 440–443, February, 1982.     

Magnetic properties of Cu(II) bischelate complexes with 3-imidazoline nitroxides. 1. Anab initio analysis of spin density delocalization channels

Spin density redistribution between the paramagnetic centers Cu²⁺, N-O, and N’-O’ of bischelate complexes CuL₂ of the copper ion with enaminoketone 3-imidazoline nitroxides (L) are investigated using an ab initio RHF (restricted Hartree-Fock) approach. The most important channels of unpaired electron delocalization over the systems of π- and Σ-bonds in such complexes are revealed. The conformation dependence of spin density localized on paramagnetic centers and delocalized due to a distortion of the structure of the environment of the Cu²⁺ ion from square planar to tetrahedral is analyzed and explained. Translated fromZhurnal Strukturnoi Khimii, Vol. 38, No. 5, pp. 840–849, September-October, 1997.     

Reaction of trihalo(phenylenedioxy)phosphoranes with acetylenes: X. specific features of the reactions of substituted 2,2,2-trichloro-1,3,2λ5-benzodioxaphospholes with 3-chloro(bromo, iodo)propynes

It was shown for the first time that 3-chloro-, 3-bromo-, and 3-iodopropynes can react with 2,2,2-trichloro-, 2,2,2-trichloro-5-methyl-, and 5,6-dibromo-2,2,2-trichloro-1,3,2λ⁵-benzodioxaphospholes to give derivatives of 4-(halomethyl)-2-chloro-2H-1,2λ⁵-benzoxaphosphinin-2-ones. The reaction involves nonselective chlorination of the phenylene substituent in different positions, and the resulting isomer ratio is temperature-dependent. In the reactions of 3-bromo-and 3-iodopropynes with 2,2,2-trichloro-1,3,2λ⁵-benzo-dioxaphosphole, a side process takes place, viz. nucleophilic substitution of bromine and iodine with chlorine. The structure of some of the prepared 4-(chloromethyl)-1,2-benzoxaphosphinines was studied by means of X-ray diffraction.     

Reaction of 2-Tetrafluoropropoxy-5,6-benzo-1,3,2-dioxaphosphorinan-4-one with Pyruvonitrile

The reaction of pyruvonitrile with 2-tetrafluoropropoxy-5,6-benzo-1,3,2-dioxaphosphorinan-4-one results mainly in the enlargement of the starting heteroring to form 4-cyano-4-methyl-2-tetrafluoropropoxy-6,7-benzo-1,3,2⁵-dioxaphosphepin-5-one 2-oxide as a mixture of two diastereomers (14:1) along with minor amounts of 3-cyano-3-methyl-2-tetrafluoropropoxy-6,7-benzo-1,4,2⁵-dioxaphosphepin-5-one 2-oxide.     

Reaction of chloromethyliso(thio)cyanato(thio)phosphonates(-phosphinates) with phenol,ethanol, and thiols

(Chloromethyl)isocyanatophosphonates(-phosphinates) take up phenol to form carbamates whose -cleavage gives rise to phenyl (chloromethyl)phosphonates(-phosphinates). (Chloromethyl)(thio)phosphinic-(phosphonic) isothiocyanates react with phenol at 20°C in the absence of catalyst to afford phenyl phosphinates(-phosphonates). (Alkylsulfanyl)carbamates formed by addition of thiols to (chloromethyl)iso(thio)cyanastophosphonates(-phosphinates) under the action of an equimolar amount of triethylamine undergo cyclization into 1,3,4-oxaza(thiaza)phospholines.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 9, 2004, pp. 1441–1446.Original Russian Text Copyright © 2004 by Khailova, Bagautdinova, Shaimardanova, Krepysheva, M. Pudovik, Chmutova, Azancheev, Musin, A. Pudovik.This revised version was published online in April 2005 with a corrected cover date.     

Photoelectron spectra andab initio calculations of the electronic structure of amino-n-sulfenyl chlorides

The electronic structure of some amino-N-sulfenyl chlorides and related compounds is studied by photoelectron spectroscopy and ab initio calculations. Similar values of IP(n _S ) and IP(n _N ) and the total energy minimum indicate that in stable conformations the n _S and n _N orbitals are orthogonal. These conformers are characterized by an effective n_N-σ _S-Cl ^* interaction. The relationship between the intramolecular shift of charge and ionization potential values and the spatial structure of amino-N-sulfenyl chlorides is analyzed. A. E. Arbuzov Institute of Organic and Physical Chemistry, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 2, pp. 69–73, March–April, 1994. Translated by L. Smolina     

Influence of structural factors on delocalization of spin density in nitroxyl radicals of the imidazoline series

Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences. Translated from Zhurnal Strukturnoi Khimii, Vol. 32, No. 6, pp. 42–51, November–December, 1991.     

Reactions of 3,5-di(tert-butyl)-1,2-benzoquinone with terminal acetylenes in the presence of phosphorus trichloride. ipso-Substitution of the tert-butyl group

The reactions of 3,5-di(tert-butyl)-1,2-benzoquinone with aryl-and alkylacetylenes in the presence of phosphorus trichloride afford 4-aryl(alkyl)-8-tert-butyl-2,6-dichloro-2-oxo-2H-benzo[e][1,2]oxaphosphinines as the major ipso-substitution products of the tert-butyl group by the chlorine atom. 4-Aryl(alkyl)-6,8-di(tert-butyl)-2,5-dichloro-2-oxo-and 4-aryl(alkyl)-6-tert-butyl-2,8-dichloro-2-oxo-2H-benzo[e][1,2]oxaphosphinines were obtained as the minor products. The structures of the stable representatives of this series were confirmed by X-ray diffraction. Dedicated to Academician G. A. Abakumov on the occasion of his 70th birthday. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1836–1845, September, 2007.