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Effect of nuclear motion on the absorption spectrum of dipicolinic acid Petra Sauer, Yuri Rostovtsev, and Roland E. Allen
 

Summary: Effect of nuclear motion on the absorption spectrum of dipicolinic acid
Petra Sauer, Yuri Rostovtsev, and Roland E. Allen
Department of Physics, Texas A&M University, College Station, Texas 77843
Received 7 August 2006; accepted 21 November 2006; published online 11 January 2007
Using semiclassical electron-radiation-ion dynamics, the authors have examined the effect of
nuclear motion, resulting from both finite temperature and the response to a radiation field, on the
line broadening of the excitation profile of 2,6-pyridinedicarboxylic acid dipicolinic acid . With
nuclei fixed, there is a relatively small broadening associated with the finite time duration of an
applied laser pulse. When the nuclei are allowed to move, the excitation spectrum exhibits a much
larger broadening, and is also reduced in height and shifted toward lower frequencies. In both cases,
the excitation is due to well-defined to *
transitions. The further inclusion of thermal motion at
room temperature broadens the linewidth considerably because of variations in the molecular
geometry: Transitions that had zero or negligible transition probabilities in the ground state
geometry are weakly excited at room temperature. 2007 American Institute of Physics.
DOI: 10.1063/1.2423017
I. INTRODUCTION
A current scientific challenge is the rapid detection of
chemical and biological substances, including bacterial
spores. The inhalation of as few as 250055 000 bacillus

  

Source: Allen, Roland E. - Department of Physics and Astronomy, Texas A&M University

 

Collections: Physics