Seminar Paper

Paper Information

video

sound

Persian Version

View:

594

Download:

Cites:

Information Seminar Paper

Title

SIMULATION OF PHOTOELECTRON SPECTRA OF CONFORMERS OF 1-NITROPROPANE ANION

Writers

DEHESTANI M. | MEHDIPOUR F.

Pages

 Start Page | End Page

Abstract

 INTRODUCTION: 1-NITROPROPANE IS THE SIMPLEST NITROALKANE WHERE MORE THAN ONE GEOMETRIES CONFORMER CAN EXIST. THE FOUR CONFORMERS (GAUCHE, ANTI, ECLIPSED WITH 0O AND 120 O) OF 1- NITROPROPANE CANBE GENERATED BY INTERNAL ROTATION ABOUT THEIR C-C AND C-NO2 BONDS. SHILINA ET AL. HAVE INVESTIGATED THE INFRARED AND RAMAN SPECTRA OF 1-NITROPROPANE TO DETERMINE ITS CONFORMATIONAL STABILITY COMPARED WITH THE CORRESPONDING 1-HALOSUBSTITUTED PROPANES [1]. THEY HAVE OBTAINED OPTIMIZED GEOMETRIES, HARMONIC FORCE FIELDS, AND VIBRATIONAL FREQUENCIES USINGAB INITIO AND DFT CALCULATIONS. THE PHOTOELECTRON SPECTRA OF 1-NITROPROPANE AND 1-NITROBUTANE ANIONS AT LOW KINETIC ENERGIESHAVE BEEN REPORTED BY ADAMSET AL [2]. THEY MEASURED THE ADIABATIC ELECTRON AFFINITIES AND VERTICAL DETACHMENT ENERGIES OF THESE TWO SPECIES.

Cites

  • No record.
  • References

  • No record.
  • Related Journal Papers

  • No record.
  • Related Seminar Papers

  • No record.
  • Related Plans

  • No record.
  • Recommended Workshops