An NMR Study of Icosahedral Heteroatom Boraue Derivatives
نویسنده
چکیده
An extensive study of 13C and “B shielding values of icosahedral heteroatom boranes is described. Shielding effects on polyhedral atoms due to variations (a) in directly bonded exopolyhedral groups, (b) in ortho cage groups, (c) in meta cage groups, and (d) in para cage groups are outlined. A linear relationship between ‘“C and llB shielding values of isoelectronic and isostructural icosahedral molecules is demonstrated.
منابع مشابه
DFT Study of NMR Shielding Tensors and Thermodynamic Properties on Pyrene and its Derivatives
Emissions from fossil fuel combustion pose a serious threat to public health and =pose the need for animproved monitoring of polycyclic aromatic hydrocarbons (PARS), a major class of persistent organicpollutants. For this purpose the present study reports an investigation of the electronic structure of Pyrene byuse of different chemical models We also made a comparison between different chemica...
متن کاملTheoretical study of the properties of adenine amino acid tetomers with C60
In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry level. The core and the valence electrons of atoms were compared. Other cases examined in this study, resonance energy, chemical potential (µ ),...
متن کاملDesign and Synthesis of New Benzimidazole and Pyrimidine Derivatives as α-glucosidase Inhibitor
In an endeavor to find a novel series of antihyperglycemic agents, new benzimidazole and pyrimidine derivatives were successfully synthesized efficiently in high yield with high purity, starting from amino acids in the presence of phosphorus oxychloride (POCl3). The synthesized compounds were identified by 1H-NMR, 13C-NMR, FT-IR spectroscopic techniques and elemental analysis. All products were...
متن کاملDesign and Synthesis of New Benzimidazole and Pyrimidine Derivatives as α-glucosidase Inhibitor
In an endeavor to find a novel series of antihyperglycemic agents, new benzimidazole and pyrimidine derivatives were successfully synthesized efficiently in high yield with high purity, starting from amino acids in the presence of phosphorus oxychloride (POCl3). The synthesized compounds were identified by 1H-NMR, 13C-NMR, FT-IR spectroscopic techniques and elemental analysis. All products were...
متن کاملC1ob06688a 1847..1855 ++
The free energies of activation for the aryl–aryl rotation of 17 biphenyl derivatives, bearing a heavy heteroatom (S, Se, Te, P, Si, Sn) as ortho substituent, have been measured by variable temperature NMR. These numbers, so called B values, represent a meaningful measure of the steric hindrance exerted by the selected substituents. DFT computations match quite satisfactorily the experimental b...
متن کامل