Unusual Raman spectra of para-nitroaniline by sequential Fermi resonances

Jiarui Xia; Ling Zhu; Yanting Feng; Yongqing Li; Zhenglong Zhang; Lixin Xia; Liwei Liu; Fengcai Ma

doi:10.1016/j.saa.2013.11.114

Unusual Raman spectra of para-nitroaniline by sequential Fermi resonances

Spectrochim Acta A Mol Biomol Spectrosc. 2014:120:616-20. doi: 10.1016/j.saa.2013.11.114. Epub 2013 Dec 8.

Authors

Jiarui Xia¹, Ling Zhu², Yanting Feng³, Yongqing Li³, Zhenglong Zhang⁴, Lixin Xia⁵, Liwei Liu⁶, Fengcai Ma³

Affiliations

¹ Department of Chemistry and Physics, Liaoning University, Shenyang 110036, PR China; School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, PR China.
² National Center for Nanoscience and Technology, Beijing 100190, PR China.
³ Department of Chemistry and Physics, Liaoning University, Shenyang 110036, PR China.
⁴ Leibniz Institute of Photonic Technology, Albert-Einstein-Str. 9, 07745 Jena, Germany; Physical Chemistry, Friedrich-Schiller University Jena, Helmholtzweg, 07743 Jena, Germany. Electronic address: Zhenglong.Zhang@ipht-jena.de.
⁵ Department of Chemistry and Physics, Liaoning University, Shenyang 110036, PR China. Electronic address: lixinxia@lnu.edu.cn.
⁶ Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou, Jiangsu 215123, PR China.

PMID: 24370347
DOI: 10.1016/j.saa.2013.11.114

Abstract

In this communication, we report the unusual Raman spectra of para-nitroaniline (PNA) by sequential Fermi resonances. The combinational mode 1292 cm(-1) in the experimental Raman spectrum indirectly gains the initial spectral weight at 1392 cm(-1) by three sequential Fermi resonances. These Fermi resonances result in the strong interaction between the donor group of NH2 and the acceptor group of NO2. Our theoretical calculations provide reasonable interpretation for the abnormal Raman spectra of PNA. Experimental surface enhanced Raman scattering (SERS) spectrum of PNA further confirmed our conclusion, where the strongest Raman peak at 1292 cm(-1) is very weak, while the Raman peak at 1392 cm(-1) becoming the strongest Raman peak, which is consistent with the theoretical simulations.

Keywords: Absorption spectroscopy; Acceptor group; Donor group; Fermi resonances; Para-nitroaniline; Unusual Raman spectra.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Aniline Compounds / chemistry*
Models, Molecular
Nitrogen Dioxide / chemistry
Spectrum Analysis, Raman* / methods

Substances

Aniline Compounds
4-nitroaniline
Nitrogen Dioxide