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IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

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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.
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Infrared (IR) Spectroscopy: Overview01:09

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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.
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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.
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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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In IR spectroscopy, signals produced by the X−H bonds (such as C−H, O−H, or N−H) can be observed in the frequency range of  2700–4000 cm–1. The C−H stretching vibration forms sharp bands in the region 2850–3000 cm–1. The presence of the O−H stretching vibration leads to the forming of an absorption band in the frequency range 3650–3200 cm−1. At the same time, N−H stretching can be confirmed by absorption bands in...
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Infrared spectroscopy, also known as vibrational spectroscopy, is mainly used to determine the types of bonds and functional groups in molecules. In aldehydes and ketones, the carbonyl (C=O) bond shows an absorption around 1710 cm-1. The C=O bond vibration of an aldehyde occurs at lower frequencies than that of a ketone. In addition to the C=O absorption in an aldehyde, the aldehydic C–H bond also gives two peaks in the 2700–2800 cm-1 range. This absorption, coupled with the...
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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Spectroscopy

Background:

  • High-density amorphous ice (HDA) and low-density amorphous ice (LDA) are solid water phases analogous to liquid water's high- and low-density states.
  • Understanding the transition between HDA and LDA is crucial for comprehending water's complex phase behavior.

Purpose of the Study:

  • To investigate the vibrational mode changes during the HDA to LDA transition.
  • To elucidate the structural differences and hydrogen bonding characteristics between HDA and LDA.

Main Methods:

  • Infrared spectroscopy was employed to monitor vibrational modes.
  • Specific attention was given to the decoupled OD-stretch (~2460 cm⁻¹) and OH-combinational mode (~5000 cm⁻¹).

Main Results:

  • A redshift in vibrational modes was observed during the HDA to LDA transition.
  • A significant decrease in bandwidth accompanied the redshift, indicating stronger hydrogen bonds in LDA.
  • LDA's hydrogen bond strengthening is attributed to changes in coordination number and interstitial water molecules.

Conclusions:

  • The vibrational spectra, particularly the OD-stretch band, clearly differentiate HDA from crystalline high-pressure ice phases.
  • In situ prepared LDA exhibits spectral characteristics comparable to vapor-deposited amorphous ice.
  • The study provides insights into the structural and bonding changes associated with the HDA-LDA phase transition in amorphous ices.