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Related Concept Videos

Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview01:02

Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview

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Ultraviolet–visible (UV–visible or UV–Vis) spectroscopy is an analytical technique that investigates the interaction between matter and UV–Vis light within the electromagnetic spectrum. This method is widely used for its versatility, simplicity, and relatively quick data acquisition, making it valuable for both qualitative and quantitative analysis. When UV–Vis radiation passes through a material,  molecules absorb light depending on the energy required for...
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UV–Vis Spectrometers01:14

UV–Vis Spectrometers

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The absorbance of UV and visible (UV–visible) radiations is measured using a UV–visible spectrophotometer. Deuterium lamps, which emit UV radiation, and tungsten lamps, which produce radiation in the visible region, are used as light sources in UV–visible spectrophotometers. A monochromator or prism is used for diffraction grating, i.e., to split the incoming radiation into different wavelengths. A system of slits is used to focus the desired wavelength on the sample cell.
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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

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In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
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IR Spectroscopy: Molecular Vibration Overview01:24

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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.
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UV–Vis Spectroscopy of Conjugated Systems01:32

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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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Applications of IR Spectroscopy: Overview01:11

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The non-destructive nature and ability to provide valuable chemical information make IR spectroscopy a versatile technique with broad applications in various scientific and industrial fields. IR spectroscopy is commonly used to identify and characterize organic and inorganic compounds. It provides information about the functional groups present in a molecule and the bonding between atoms. This helps in the structural elucidation of compounds during organic synthesis, pharmaceutical research,...
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Author Spotlight: Unveiling the Potential of VSFG Microscopy in Studying Mesoscopically Heterogeneous Self-Assembled Structures
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The Virtual Multifrequency Spectrometer: a new paradigm for spectroscopy.

Vincenzo Barone1

  • 1Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy.

Wiley Interdisciplinary Reviews. Computational Molecular Science
|October 28, 2017
PubMed
Summary

Computational spectroscopy is evolving into a general research tool. This review introduces a user-friendly virtual multi-frequency spectrometer (VMS) for complex systems, enhancing computational spectroscopy applications.

Keywords:
anharmonicspectra line-shapesvibronicvirtual multifrequency spectrometer

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Area of Science:

  • Computational spectroscopy
  • Quantum chemistry
  • Spectroscopic analysis

Background:

  • Advancements in computational hardware and software are transforming computational spectroscopy.
  • Bridging the gap between experimentalists and theoreticians is crucial for developing robust spectroscopic tools.
  • Complex systems require sophisticated computational approaches for accurate analysis.

Purpose of the Study:

  • To present the development of a user-friendly virtual multi-frequency spectrometer (VMS).
  • To showcase state-of-the-art computational spectroscopy approaches within a unified framework.
  • To illustrate the capabilities of the VMS tool through diverse case studies.

Main Methods:

  • Development of a virtual multi-frequency spectrometer (VMS) integrating advanced computational methods.
  • Application of VMS to analyze systems across infrared and UV-vis spectral regions.
  • Inclusion of chiral spectroscopies within the VMS framework.

Main Results:

  • Demonstration of VMS utility through case studies in infrared, UV-vis, and chiral spectroscopies.
  • Presentation of recent theoretical advancements beyond standard spectroscopic models.
  • Validation of the VMS tool for studying systems of increasing complexity.

Conclusions:

  • The virtual multi-frequency spectrometer (VMS) offers a robust and flexible platform for computational spectroscopy.
  • Enhanced interaction between experimental and theoretical researchers drives innovation in spectroscopic tools.
  • VMS facilitates the study of complex systems, advancing scientific and technological research.