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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

Raman Spectroscopy Instrumentation: Overview

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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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2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

702
Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
702
High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

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The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
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¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

¹H NMR of Labile Protons: Deuterium (²H) Substitution

886
This lesson illustrates the role of deuterium substitution in simplifying the NMR spectrum of compounds comprising labile protons. One method employed is the use of deuterium. Amongst the three isotopes of hydrogen, deuterium (2H) has a nucleus composed of one proton and one neutron. When the D2O solvent is added to a pure dry ethanol solution, its labile proton is substituted with deuterium.
886
NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones01:15

NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones

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In aldehydes, the hydrogen atom connected to the carbonyl carbon helps distinguish aldehydes from other carbonyl compounds using ¹H NMR spectroscopy. The closeness of aldehydic hydrogen to the electrophilic carbonyl carbon highly deshields the hydrogen atom causing its signal to appear around 10 ppm in the ¹H NMR spectra. α hydrogens split the aldehydic proton signal, which helps identify the number of α hydrogens in the molecule. For instance, one α hydrogen creates a...
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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
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Quantification of Hydrogen Isotopes Utilizing Raman Spectroscopy Paired with Chemometric Analysis for Application

Heather M Felmy1, Richard M Cox1, Alyssa F Espley1

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This study presents methods for robust, long-term online chemical analysis using Raman spectroscopy. Calibration transfer techniques overcome challenges in monitoring hydrogen isotopes in dynamic gas streams.

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Area of Science:

  • Analytical Chemistry
  • Chemical Engineering
  • Spectroscopy

Background:

  • Online, real-time chemical process analysis is crucial but faces challenges like instrument drift and sensor replacement.
  • Recalibration and model rebuilding are costly and time-consuming for long-term monitoring.
  • In situ analysis offers new understanding but requires robust, adaptable tools.

Purpose of the Study:

  • To demonstrate methods for overcoming challenges in long-term online chemical monitoring.
  • To apply Raman spectroscopy and chemometrics for analyzing hydrogen isotopes in gas streams.
  • To showcase calibration transfer approaches for adaptable analytical systems.

Main Methods:

  • Utilized Raman spectroscopy for in situ analysis of chemical processes.
  • Employed chemometric modeling and chemical data science tools.
  • Implemented calibration transfer approaches to account for instrument and sensor changes.
  • Optimized instrument and sensor cell parameters for gas-phase analysis.

Main Results:

  • Successfully monitored hydrogen isotopes with varied speciation in dynamic gas streams.
  • Demonstrated the effectiveness of calibration transfer in maintaining analytical accuracy.
  • Showcased the applicability of developed methods to real-world chemical systems.
  • Provided a framework for robust, long-term optical spectroscopy monitoring.

Conclusions:

  • Developed methods enable cost-effective and time-efficient long-term online chemical monitoring.
  • The approach using Raman spectroscopy and chemometrics is highly applicable to the nuclear energy sector for hydrogen monitoring.
  • The demonstrated mechanisms are widely applicable to various chemical systems and optical spectroscopy applications.