Solvent effects on the nitrogen screening of some nitroalkanes
- 1 May 1981
- journal article
- research article
- Published by Wiley in Magnetic Resonance in Chemistry
- Vol. 16 (1) , 57-59
- https://doi.org/10.1002/mrc.1270160115
Abstract
High precision 14N screening measurements are presented for some nitroalkanes. The screening increases as the dielectric constant of the solvent decreases in all cases considered. The β effect on the nitrogen screening is found to be largely independent of solvent, and is thus an intrinsic property of the nitroalkanes. Good agreement is obtained between the observed solvent effects on nitrogen screening and those calculated by the SOS procedure using INDO/S parameters. It is concluded that the measured nitrogen screening changes monitor the electronic changes which occur in the nitroalkanes as the medium is changed.Keywords
This publication has 9 references indexed in Scilit:
- Some quantum chemical aspects of solvent effects on NMR parametersMagnetic Resonance in Chemistry, 1981
- Calculations of the Solvent Effects on Some Nitrogen Chemical ShiftsBulletin of the Chemical Society of Japan, 1979
- Some INDO/S parameterized calculations of nitrogen and oxygen screening constantsJournal of Magnetic Resonance (1969), 1978
- External neat nitromethane scale for nitrogen chemical shiftsJournal of Magnetic Resonance (1969), 1977
- Solvent interaction within the Hartree-Fock SCF molecular orbital formalismTheoretical Chemistry Accounts, 1974
- Nitrogen Chemical Shifts in Organic CompoundsPublished by Springer Nature ,1973
- Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole momentsJournal of the American Chemical Society, 1967
- Molecular-Orbital Theory of Diamagnetism. I. An Approximate LCAO SchemeThe Journal of Chemical Physics, 1962
- Molecular-Orbital Theory of Diamagnetism. II. Calculation of Pascal Constants for Some Noncyclic MoleculesThe Journal of Chemical Physics, 1962