Computational Modeling of Light Induced Transformations in Organic Molecule

Abstract

The goal of this research is to investigate theoretically and experimentally the feasibility of a new Multi-State Spectral Sensing (MS3) concept where bio-signature information can be collected from multiple metastable conformations for enhanced sensing in the THz region. Several geometric isomeric molecular systems have been investigated including 2-butenes, retinals, and stilbenes, in order to (1) study THz spectra of different molecular conformation; (2) illustrate a basic procedure through which optical excitation can be used to modify molecular conformations; (3) study possible binding of stilbene or its derivatives to DNA terminal. We have conducted the initial theoretical investigation of emission of radiation by DNA.

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Document Details

Document Type
Technical Report
Publication Date
Aug 31, 2008
Accession Number
ADA498602

Entities

People

  • Boris Gelmont
  • Raphael Moon

Organizations

  • University of Virginia

Tags

Communities of Interest

  • Biomedical
  • Energy and Power Technologies
  • Sensors

DTIC Thesaurus Topics

  • Alkenes
  • Carbon Dioxide Lasers
  • Density Functional Theory
  • Detection
  • Detectors
  • Emission Spectra
  • Energy Transfer
  • First Principles Calculations
  • Ground State
  • Infrared Spectra
  • Lasers
  • Molecules
  • Quantum Yields
  • Radiation
  • Spectra
  • Spectroscopy
  • Terahertz Radiation

Fields of Study

  • Chemistry

Readers

  • Molecular Photonics/Laser Physics
  • Polymer Science and Technology
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.