title: Configurational assignment of carbon, silicon and germanium containing propynal oximes by means of 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants.
abstract: Configurational assignment of five carbon, silicon and germanium containing propynal oximes has been carried out by means of experimental measurements and high-level ab initio calculations of their 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants. The title compounds were shown to exist in the nonequilibrium mixture of E and Z isomers with the energy difference of less than 0.3 kcal/mol calculated at the MP2/6-311G** level.
authors.affiliation: A. E. Favorsky Institute of Chemistry, Irkutsk, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia.
authors.forename: Kirill A
authors.initials: KA
authors.lastname: Chernyshev
authors.forename: Leonid B
authors.initials: LB
authors.lastname: Krivdin
authors.forename: Lyudmila I
authors.initials: LI
authors.lastname: Larina
authors.forename: Tatiana V
authors.initials: TV
authors.lastname: Konkova
authors.forename: Maria M
authors.initials: MM
authors.lastname: Demina
authors.forename: Alevtina S
authors.initials: AS
authors.lastname: Medvedeva
mesh_terms: D000480:Alkynes / Q000737:chemistry*; D002244:Carbon / Q000737:chemistry; D002247:Carbon Isotopes; D005857:Germanium / Q000737:chemistry; D007536:Isomerism; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D008968:Molecular Conformation; D009587:Nitrogen Isotopes; D010091:Oximes / Q000737:chemistry*; D012825:Silicon / Q000737:chemistry
chemical_list: D000480:Alkynes; D002247:Carbon Isotopes; D009587:Nitrogen Isotopes; D010091:Oximes; D005857:Germanium; C022030:methylacetylene; D002244:Carbon; D012825:Silicon