FRANCK–CONDON SIMULATION OF PHOTOELECTRON SPECTROSCOPY OF ACRIDINE: COMPARISON BETWEEN SIMULATION AND EXPERIMENT

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SAMIMI M.; DEHESTANI M.

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Seminar Paper

Paper Information

Seminar: IRANIAN PHYSICAL CHEMISTRY CONFERENCE
Year:2013 | Issue:16

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Title

FRANCK–CONDON SIMULATION OF PHOTOELECTRON SPECTROSCOPY OF ACRIDINE: COMPARISON BETWEEN SIMULATION AND EXPERIMENT

Author(s)

SAMIMI M. | DEHESTANI M. | Issue Writer Certificate

Keywords

ACRIDINEAB INITIO CALCULATIONS

FRANCK–CONDON FACTORS

PHOTOELECTRON SPECTRUM

Abstract

A THEORETICAL METHOD TO CALCULATE MULTIDIMENSIONAL FRANCK–CONDON FACTORS IS DESCRIBED AND USED TO SIMULATE THE PHOTOELECTRON SPECTRUM OF THE ANION ACRIDINE (AD-). NEGATIVE ION PHOTOELECTRON SPECTROSCOPY WAS EMPLOYED TO INVESTIGATE THE ELECTRONIC STRUCTURE OF THE ACRIDINE MOLECULAR ANION AND ITS MONOHYDRATED ANION IN THE GAS PHASE. GEOMETRY OPTIMIZATIONS AND HARMONIC VIBRATIONAL FREQUENCY CALCULATIONS HAVE BEEN PERFORMED ON THE X1A1 STATE OF AD AND X2A1 STATE OF AD- ARE OBTAINED BY EMPLOYING AN ITERATIVE FRANCK–CONDON ANALYSIS PROCEDURE IN THE SPECTRAL SIMULATIONS.

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APA: Copy

SAMIMI, M., & DEHESTANI, M.. (2013). FRANCK–CONDON SIMULATION OF PHOTOELECTRON SPECTROSCOPY OF ACRIDINE: COMPARISON BETWEEN SIMULATION AND EXPERIMENT. IRANIAN PHYSICAL CHEMISTRY CONFERENCE. SID. https://sid.ir/paper/915931/en

Vancouver: Copy

SAMIMI M., DEHESTANI M.. FRANCK–CONDON SIMULATION OF PHOTOELECTRON SPECTROSCOPY OF ACRIDINE: COMPARISON BETWEEN SIMULATION AND EXPERIMENT. 2013. Available from: https://sid.ir/paper/915931/en

IEEE: Copy

M. SAMIMI, and M. DEHESTANI, “FRANCK–CONDON SIMULATION OF PHOTOELECTRON SPECTROSCOPY OF ACRIDINE: COMPARISON BETWEEN SIMULATION AND EXPERIMENT,” presented at the IRANIAN PHYSICAL CHEMISTRY CONFERENCE. 2013, [Online]. Available: https://sid.ir/paper/915931/en

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