Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Terahertz Spectroscopy of Dicyanobenzenes: Anomalous Absorption Intensities and Spectral Calculations

Published

Author(s)

Okan Esenturk, Ari Evans, Edwin J. Heilweil

Abstract

Terahertz (THz) absorption spectra of the three isomeric structures of dicyanobenzene obtained from chloroform solutions and the solid phase at 298 K are reported. These spectra exhibit enhanced absorption cross-sections over those measured for most organic systems and are compared to isolated molecule vibrational spectral calculations using Density Functional Theory. Strong experiment and calculation agreement suggest that all internal vibrational modes are readily assigned and comparison to liquid-phase spectra identifies solid-state phonon modes in these weakly associated systems.
Citation
Chemical Physics Letters
Volume
442

Keywords

DFT, dicyanobenzene, far-ir spectroscopy, molecular crystals and spectroscopy, terahertz spectroscopy, THz-TDS

Citation

Esenturk, O. , Evans, A. and Heilweil, E. (2007), Terahertz Spectroscopy of Dicyanobenzenes: Anomalous Absorption Intensities and Spectral Calculations, Chemical Physics Letters, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=841055 (Accessed May 28, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created May 23, 2007, Updated October 12, 2021