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

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