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Related Concept Videos

Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

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When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...
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IR Spectrum01:19

IR Spectrum

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When infrared (IR) radiation passes through a molecule, the bonds stretch or bend by absorbing the radiation. This absorption creates the molecule's absorption spectrum, which is the plot of its percentage transmittance versus wavenumber.
Transmittance is defined as the ratio of the radiant power passing through a sample to that from the radiation's source. Multiplying the transmittance by 100 gives the percent transmittance (%T), which varies between 100% (no absorption) and 0%...
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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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IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

1.0K
IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the...
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IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

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A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to...
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IR Spectrometers01:25

IR Spectrometers

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There are two main infrared (IR) spectrophotometers: dispersive IR spectrometers and Fourier transform infrared (FTIR) spectrometers. In a dispersive IR spectrometer, a beam of infrared radiation produced by a hot wire is divided into two parallel equal-intensity beams using mirrors. One beam passes through the sample, while another is a reference beam. The beams then move through the monochromator, which separates the radiations into a continuous spectrum of different frequencies. The...
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Diffuse Reflectance Infrared Spectroscopic Identification of Dispersant/Particle Bonding Mechanisms in Functional Inks
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Infrared Diffusion-Ordered Spectroscopy Reveals Molecular Size and Structure.

Giulia Giubertoni1, Gijs Rombouts1, Federico Caporaletti1,2

  • 1Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Science Park 904, 1098XH, Amsterdam, The Netherlands.

Angewandte Chemie (International Ed. in English)
|October 19, 2022
PubMed
Summary
This summary is machine-generated.

We developed Infrared Diffusion-Ordered Spectroscopy (IR-DOSY) to simultaneously determine molecular size and structure. This technique separates molecules by size in IR-frequency resolved spectra, enabling simultaneous chemical and size characterization.

Keywords:
Analytical MethodsDiffusion-Ordered SpectroscopyInfrared SpectroscopyTime-Resolved SpectroscopyTwo-Dimensional Infrared Spectroscopy

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Area of Science:

  • Analytical Chemistry
  • Spectroscopy
  • Physical Chemistry

Background:

  • Nuclear Magnetic Resonance (NMR) techniques like NMR-DOSY are established for molecular characterization.
  • Understanding molecular size and structure is crucial in chemistry and materials science.
  • Existing methods may not offer simultaneous characterization of both properties efficiently.

Purpose of the Study:

  • To introduce Infrared Diffusion-Ordered Spectroscopy (IR-DOSY) as a novel method for simultaneous molecular structure and size characterization.
  • To adapt principles from NMR-DOSY for application in infrared spectroscopy.
  • To demonstrate the capability of IR-DOSY in analyzing mixtures of molecules based on size.

Main Methods:

  • Development of Infrared Diffusion-Ordered Spectroscopy (IR-DOSY) based on the Stokes-Einstein relation.
  • Creation of concentration gradients and tracking their equilibration in an IR-frequency resolved manner.
  • Implementation of 2D and 3D IR-DOSY, incorporating femtosecond multi-dimensional IR spectroscopy for conformational analysis.

Main Results:

  • IR-DOSY successfully provides a two-dimensional spectrum with IR frequency and diffusion coefficient (size) as axes.
  • Molecules in a mixture are effectively separated into distinct sets of IR peaks based on their size.
  • 3D-IR-DOSY combines conformational sensitivity with size sensitivity.

Conclusions:

  • IR-DOSY is a powerful new technique for simultaneous characterization of molecular structure and size.
  • The method offers enhanced analytical capabilities for complex mixtures.
  • IR-DOSY represents a significant advancement in spectroscopic analysis, analogous to NMR-DOSY but in the infrared spectrum.