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Proceedings Paper

Design and engineering of organic molecules for customizable Terahertz tags
Author(s): Shaumik Ray; Jyotirmayee Dash; Kathirvel Nallappan; Vaibhav Kaware; Nitin Basutkar; Ashootosh Ambade; Kavita Joshi; Bala Pesala
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Paper Abstract

Terahertz (THz) frequency band lies between the microwave and infrared region of the electromagnetic spectrum. Molecules having strong resonances in this frequency range are ideal for realizing "Terahertz tags" which can be easily incorporated into various materials. THz spectroscopy of molecules, especially at frequencies below 10 THz, provides valuable information on the low frequency vibrational modes, viz. intermolecular vibrational modes, hydrogen bond stretching, torsional vibrations in several chemical and biological compounds. So far there have been very few attempts to engineer molecules which can demonstrate customizable resonances in the THz frequency region. In this paper, Diamidopyridine (DAP) based molecules are used as a model system to demonstrate engineering of THz resonances (< 10 THz) by fine-tuning the molecular mass and bond strengths. Density Functional Theory (DFT) simulations have been carried out to explain the origin of THz resonances and factors contributing to the shift in resonances due to the addition of various functional groups. The design approach presented here can be easily extended to engineer various organic molecules suitable for THz tags application.

Paper Details

Date Published: 7 March 2014
PDF: 8 pages
Proc. SPIE 8985, Terahertz, RF, Millimeter, and Submillimeter-Wave Technology and Applications VII, 89850P (7 March 2014); doi: 10.1117/12.2041194
Show Author Affiliations
Shaumik Ray, CSIR-Madras Complex (India)
Jyotirmayee Dash, CSIR-Madras Complex (India)
CSIR - Structural Engineering Research Ctr. (India)
Kathirvel Nallappan, CSIR-Madras Complex (India)
Vaibhav Kaware, CSIR - National Chemical Lab. (India)
Nitin Basutkar, CSIR - National Chemical Lab. (India)
Ashootosh Ambade, CSIR - National Chemical Lab. (India)
Kavita Joshi, CSIR - National Chemical Lab. (India)
Bala Pesala, CSIR-Madras Complex (India)
CSIR - Structural Engineering Research Ctr. (India)

Published in SPIE Proceedings Vol. 8985:
Terahertz, RF, Millimeter, and Submillimeter-Wave Technology and Applications VII
Laurence P. Sadwick; Créidhe M. O'Sullivan, Editor(s)

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