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Related Concept Videos

Raman Spectroscopy: Overview01:20

Raman Spectroscopy: Overview

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The underlying principle of Raman spectroscopy is based on the interaction between light and matter, specifically molecules' inelastic scattering of photons. When a monochromatic beam of light, typically from a laser source, interacts with a sample, most scattered light has the same frequency as the incident light. This is known as Rayleigh scattering.
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and...
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Raman Spectroscopy Instrumentation: Overview01:26

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A conventional Raman spectrophotometer includes a laser source, a sample holding system, a wavelength selector, and a detector.
The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...
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¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

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The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
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¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

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At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
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IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

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When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
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UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

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Organic compounds with conjugated double bonds show strong absorption features in the UV–visible region of the electromagnetic spectrum attributed to π → π* electronic excitations. Generally, a UV–vis absorption spectrum is recorded as a plot of absorbance vs wavelength. The wavelength of maximum absorbance, which manifests as a peak in the absorption spectrum, is denoted as λmax.
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Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional &#960;-conjugate Systems
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Roles of π‑Conjugation and Intermolecular Interactions in Molecular Raman, Fluorescence, and Lifetime Spectroscopy.

Qiyuan Yu1, Sibing Chen2, Yansong Liu1

  • 1School of Chemical Engineering and Technology, Haihe Laboratory of Sustainable Chemical Transformations, Tianjin Key Laboratory of Applied Catalysis and Engineering, Tianjin University, Tianjin 300350, People's Republic of China.

ACS Omega
|April 6, 2026
PubMed
Summary
This summary is machine-generated.

This study reveals how molecular structure, π-conjugation, and intermolecular forces influence Raman spectroscopy and fluorescence in seven molecules. Advanced microscopy and spectroscopy techniques correlate microscale structure with spectral properties.

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Area of Science:

  • Molecular Spectroscopy
  • Materials Science
  • Physical Chemistry

Background:

  • Understanding the link between molecular structure and spectral properties is crucial for designing functional materials.
  • Molecular structure, π-conjugation, and intermolecular interactions significantly influence spectroscopic behavior.

Purpose of the Study:

  • To investigate how chemical structure, π-conjugation, and intermolecular interactions modulate Raman spectroscopy, fluorescence, and excited-state lifetimes.
  • To correlate microscale structural features and intermolecular interactions with observed spectral properties.

Main Methods:

  • Utilized charge-coupled device (CCD) cameras and field-emission scanning electron microscopy (FE-SEM) for microscale morphology analysis.
  • Employed scanning tunneling microscopy (STM) to probe intermolecular interactions like hydrogen and halogen bonding.
  • Performed Raman spectroscopy, fluorescence spectroscopy, excited-state lifetime measurements, and attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR).
  • Conducted density functional theory (DFT) calculations for spectral analysis.

Main Results:

  • Distinct Raman signatures were observed for different molecular skeletons, with varying power dependencies for Stokes and anti-Stokes peaks.
  • Intermolecular interactions (hydrogen bonding, halogen bonding, ionic) were visualized using STM.
  • Fluorescence and lifetime spectra correlated with chemical structure, π-conjugation, and intermolecular interactions.
  • DFT-calculated Raman spectra showed good agreement with experimental data.
  • ATR-FTIR confirmed the presence of carboxylic acid or carboxylate groups, consistent with Raman spectra.

Conclusions:

  • The study successfully integrated multiple spectroscopic and microscopic techniques to elucidate structure-property relationships in organic molecules.
  • Demonstrated the combined influence of molecular structure, π-conjugation, and intermolecular interactions on spectral characteristics.
  • Provided insights into designing functional materials by understanding microscale structural and electronic effects on optical properties.