The discovery of the hydrogen bond from p-Nitrothiophenol by Raman spectroscopy: Guideline for the thioalcohol molecule recognition tool

Abstract

Inter- and intra- molecular hydrogen bonding plays important role in determining molecular structure, physical and chemical properties, which may be easily ignored for molecules with a non-typical hydrogen bonding structure. We demonstrated in this paper that the hydrogen bonding is responsible for the different Raman spectra in solid and solution states of p-Nitrothiophenol (PNTP). The consistence of the theoretical calculation and experiment reveals that the intermolecular hydrogen bonding yields an octatomic ring structure (8) of PNTP in the solid state, confirmed by the characteristic S-H---O stretching vibration mode at 2550 cm−1; when it comes to the solution state, the breakage of hydrogen bond of S-H---O induced the S-H stretching vibration at 2590 cm−1. Our findings may provide a simple and fast method for identifying the intermolecular hydrogen bonding.

Catalysis by Metal Nanoparticles in a Plug-In Optofluidic Platform: Redox Reactions of p-Nitrobenzenethiol and p-Aminothiophenol

“…Figure A displays SERS spectra recorded from the plug-in probe during the reaction at selected time points. At time zero ( t = 0 s), the spectrum (Figure A, bottom trace) shows four major bands of PNTP at 330 cm –1 (assigned to the metal–molecule surface complex), 1083 cm –1 (νC–S), , 1346 cm –1 (νNO 2 ), , and 1577 cm –1 (νC–C). , With an increasing reaction time, the intensity of νNO 2 at 1346 cm –1 gradually decays and is accompanied by the appearance of the typical bands of PATP at 390 and 1595 cm –1 (cf. Figure A, bottom to top).…”

Monitoring Solid‐Phase Reactions in Self‐Assembled Monolayers by Surface‐Enhanced Raman Spectroscopy

“…The solid black trace represents the averaged spectrum and the gray dashed lines represent the peaks of a reference spectrum. [41] All spectra show eight distinct peaks with the most prominent one located at 1327 cm −1 , corresponding to the symmetric stretch frequency of NO 2 . The intensity varies from approximately 1600 to 3600 counts for the most prominent peak, which is a reasonable range, showing that every single‐spot measurement delivers a suitable spectrum (Figure 1 F ).…”

Porous Hybrids Structure between Silver Nanoparticle and Layered Double Hydroxide for Surface-Enhanced Raman Spectroscopy

“…First, we focused on the qualitative SERS effect depending on the calcination temperature in Ag@LDO. Raman signal of 4-NTP was characterized by the distinctive peak at 1336 cm −1 , attributed to the symmetric stretching of the NO 2 group [ 69 ]. Figure 7 A(a) shows that the 4-NTP solution (10 −4 mol/L) dropped on bare silicon wafer did not show any Raman signal for the molecule.…”