Raman spectra calculation for single molecule Observed by Tip-Enhanced Raman Spectroscopy


Authors:Agung Setiadi, Megumi Akai-Kasaya, Yuji Kuwahara

Affiliation:Department of Precision Science and Technology, Graduate School of Engineering, Osaka University

Abstract:This study demonstrates a tip-enhanced Raman spectroscopy (TERS)-induced chemical reaction by immobilizing molecules with a self-assembled monolayer on a Au(111) surface. The Raman spectrum of an isolated molecule and their derivatives were calculated to compare with the TERS spectrum. The intensities of the Raman spectra were converted from the calculated Raman activities using an equation which is available in the Chemcraft software. Raman spectra of an isolated pristine [7]TH-aldehyde molecule, and of the isolated [7]TH-aldehyde molecule with the L-mode localized at the side (L1), center (L2) and on all three benzene rings (L3) were calculated and compared to the experimental results. According to the calculated spectra, the L1- and L2-modes result in peaks at 1996 and 2012 cm-1, respectively. By the comparison to the experimental results, it is deduced that one side benzene ring which protruded upwards close to the tip had undergone hydrogenation induced by pyrolysis with the tip acting as both local heat source and catalyst.


Publication related to your research
(International conference paper)

  • Songpol Chaunchaiyakul, Takeshi Yano, Kamonchanok Khoklang, Pawel Krukowski, MegumiAkai-Kasaya, Akira Saito, Yuji Kuwahara “Nanoscale Analysis of Interwall Interaction in a Multiwalled Carbon Nanotube by Tip-Enhanced Raman Spectroscopy” APS March Meeting 2016, Baltimore Convention Center, Baltimore MD, USA, 14-18 Mar.(2016)
  • Y. Kuwahara, S. Chaunchiayakul, A. Setiadi, P. Krukowski, “Chemical Analysis of Nanomaterials by Tip-enhanced Raman Scattering” Spectroscopy",International Workshop on Advanced Materials and Nanotechnology 2016 (IWAMN 2016), VNU University of Science, Hanoi, Vietnam, 3-5 Nov. (2016)
  • Y. Kuwahara, S. Chaunchiayakul, A. Setiadi, P. Krukowski, “Chemical Analysis of Nanomaterials by Tip-enhanced Raman Scattering Spectroscopy", The 2nd international symposium on "Recent Trends in Analysis Techniques for Functional Materials and Devices" Icho-Kaikan, Osaka University Japan, 17-19 Jan. (2017)


(Domestic conference/workshop)

  • 桑原裕司 Chaunchayakul Songpol ,高山正浩,Krukowski Pawel,赤井 恵,斎藤 彰, 探針増強ラマン分光法によるカーボンナノチューブの局所振動解析, 2016年度精密工学会秋季大会学術講演会, 茨城大学水戸キャンパス, 茨城, 2016年9月6-8日


Posted : March 30,2017