Unusual Raman spectra of para-nitroaniline by sequential Fermi resonances

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• 作者：Jiarui Xia ; Ling Zhu ; Yanting Feng ; Yongqing Li ; Zhenglong Zhang ; Lixin Xia ; Liwei Liu ; Fengcai Ma
• 关键词：Para-nitroaniline ; Unusual Raman spectra ; Fermi resonances ; Absorption spectroscopy ; Donor group ; Acceptor group
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：24 February, 2014
• 年：2014
• 卷：120
• 期：Complete
• 页码：616-620
• 全文大小：1178 K

文摘

In this communication, we report the unusual Raman spectra of para-nitroaniline (PNA) by sequential Fermi resonances. The combinational mode 1292 cm^{鈭?/sup>1 in the experimental Raman spectrum indirectly gains the initial spectral weight at 1392 cm鈭?/sup>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鈭?/sup>1 is very weak, while the Raman peak at 1392 cm鈭?/sup>1 becoming the strongest Raman peak, which is consistent with the theoretical simulations.}