Share Email Print
cover

Proceedings Paper

The terahertz spectroscopic investigation and vibration analysis of triadimefon
Author(s): Qiang Wang; Xiaohong Gu; Lanyu Li
Format Member Price Non-Member Price
PDF $14.40 $18.00
cover GOOD NEWS! Your organization subscribes to the SPIE Digital Library. You may be able to download this paper for free. Check Access

Paper Abstract

The terahertz spectra of triadimefon has been investigated using time-domain THz spectroscopy (THz-TDS) in the range of 0.4~2.0 THz. Calculations of the vibrational modes and intensities are carried out using solid-state density functional theory (DFT) with periodic boundary condition employing the B3LYP and PW91 density functions. Good agreement between the calculated and experimentally measured spectra has been achieved where isolated-molecule calculations fail to reproduce the observed spectral characters. These simulations reveal that the solid-state DFT calculations provide high quality structural and spectral reproductions. All the experimental THz absorption peaks are assigned utilizing the PW91 and BLYP method.

Paper Details

Date Published: 29 April 2016
PDF: 6 pages
Proc. SPIE 9856, Terahertz Physics, Devices, and Systems X: Advanced Applications in Industry and Defense, 98560Z (29 April 2016); doi: 10.1117/12.2230724
Show Author Affiliations
Qiang Wang, China Jiliang Univ. (China)
Xiaohong Gu, China Jiliang Univ. (China)
Lanyu Li, China Jiliang Univ. (China)


Published in SPIE Proceedings Vol. 9856:
Terahertz Physics, Devices, and Systems X: Advanced Applications in Industry and Defense
Mehdi F. Anwar; Thomas W. Crowe; Tariq Manzur, Editor(s)

© SPIE. Terms of Use
Back to Top