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Physical Sciences and Mathematics

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University of Tennessee, Knoxville

Theses/Dissertations

2015

Ab initio

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Experimental And Ab Initio Computational Study Of Azobenzene And Several Of Its Derivatives, Mohammadreza Rezaee Aug 2015

Experimental And Ab Initio Computational Study Of Azobenzene And Several Of Its Derivatives, Mohammadreza Rezaee

Doctoral Dissertations

In this dissertation we studied azobenzene and seven of its derivatives experimentally in addition to comprehensive ab initio computational investigation. Gas phase ion chemistry studies sre a rich and important area of chemical physics. We used an energy resolved collision induced dissociation technique to study the chemical bonding of these molecule negative or positive ions. We studied the fragment ions which we have detected in the mass spectrum computationally as well. Doing so we experimentally measured the bond dissociation energies and compared them with those resulting from the quantum chemistry computations. We also performed other experiments such as Raman spectroscopy, …