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- W2095822319 abstract "Abstract The conformational changes of cyclohexyl acetylene (CHAL) on gold nanoparticle surfaces were investigated by means of concentration- and temperature-dependent surface-enhanced Raman scattering (SERS). Depending on concentrations and temperatures, the spectral changes of the acetylene ν (C≡C) stretching vibration on gold nanoparticles appeared to be more conspicuous than those of cyclohexyl ring modes. The density functional theory (DFT) calculation was performed at the level of B3LYP/6-31G++(d,p) to compare the energetic stability and vibrational frequencies of the various conformers of cyclohexanethiol (CHT) and CHAL. The DFT calculations were also carried out at the level of B3LYP/LACVP** on the CHAL molecule adsorbed on Au clusters at several sites to explain the spectral changes of the acetylene ν (C≡C) stretching vibration." @default.
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- W2095822319 date "2009-11-01" @default.
- W2095822319 modified "2023-10-18" @default.
- W2095822319 title "Adsorption change of cyclohexyl acetylene on gold nanoparticle surfaces" @default.
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- W2095822319 doi "https://doi.org/10.1016/j.vibspec.2009.04.008" @default.
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