6533b832fe1ef96bd129ac0e

RESEARCH PRODUCT

Molecular structure and electric properties of N -methyl- N -nitroaniline and its derivatives

Oleg V. PrezhdoV.v. PrezhdoZdzisław DaszkiewiczAleksander KollA. S. Bykova

subject

Inorganic ChemistryDipoleKerr effectKerr constantChemistryComputational chemistryOrganic ChemistryElectric propertiesPhysical chemistryMoleculeSpectroscopyAnalytical ChemistryNitroaniline

description

A comparative study of the molecular structure of N-methyl-N-nitroaniline and its derivatives is carried out employing the Kerr effect and dipole moments methods in combination with the crystallographic analysis. The obtained experimental structural data agree with the quantum-chemical calculations by the B3LYP/6-31G p and MP2/3-21G p methods. The measurement and calculation results are used to draw conclusions about the mutual interaction and role of various substituents to the Nmethyl-N-nitroaniline molecule. q 2001 Elsevier Science B.V. All rights reserved.

yearjournalcountryeditionlanguage
2001-01-01Journal of Molecular Structure
https://doi.org/10.1016/s0022-2860(00)00707-9