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Chemical Ionization (CI) Mass Spectrometry01:21

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The molecular ion peak of a molecule in the mass spectrum provides vital information for molecular identification. However, conventional electron impact ionization can lead to the rapid dissociation of some molecular ions before they reach the detector. A milder ionization method is required to increase the lifetime of such ionized analyte molecules. Chemical ionization (CI) is a gas-phase protonation reaction useful for mass-analyzing analyte molecules that are easily protonated to yield the...
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The quadrupole mass analyzer consists of four cylindrical metal rods arranged in a diamond carrying a DC voltage and a radio-frequency AC voltage. The motion of ions through the quadrupole depends on the field strength, causing only ions of a certain m/z to resonate successfully and strike the detector at a given field strength. Though the transmission rate for these analyzers is high, the exact elemental composition of the sample is not determined because of low resolution; however, they are...
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Intermolecular Forces

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Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
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The ionization of a molecule into a molecular ion inside the mass spectrometer causes instability in the molecule's structure due to the loss of an electron. This eventually leads to the fragmentation or breaking of some bonds in the molecule. The fragmentation occurs predominantly at specific bonds to yield relatively stable fragments.
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Ionization Energy03:12

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The amount of energy required to remove the most loosely bound electron from a gaseous atom in its ground state is called its first ionization energy (IE1). The first ionization energy for an element, X, is the energy required to form a cation with 1+ charge:
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Multiphoton ionization of large water clusters.

B Apicella1, X Li2, M Passaro3

  • 1Combustion Research Institute, IRC-C.N.R., P.le Tecchio 80, 80125 Napoli, Italy.

The Journal of Chemical Physics
|June 2, 2014
PubMed
Summary

Researchers studied water clusters using multiphoton ionization. Larger water clusters (n>10) mimic bulk liquid water properties, enabling bulk phase structure studies.

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Area of Science:

  • Physical Chemistry
  • Spectroscopy
  • Materials Science

Background:

  • Water clusters are essential for understanding hydrogen bonding and the liquid water phase.
  • Investigating water cluster electronic states provides insights into bulk water properties.

Purpose of the Study:

  • To investigate the electronic states of water clusters of varying sizes.
  • To determine if larger water clusters approximate the bulk liquid phase.

Main Methods:

  • Multiphoton ionization in the UV range coupled with time-of-flight mass spectrometry.
  • Laser ionization at 355 nm and 266 nm using nanosecond and picosecond lasers.
  • Analysis of ion intensities and metastable fragments dependence on laser power density.

Main Results:

  • A (3+1)-photon resonance-enhanced multiphoton ionization process was identified at 355 nm.
  • Water clusters up to m/z 2000 Th (reflectron) and 3000 Th (linear) were detected at 355 nm, unlike at 266 nm where n>9 clusters were not observed.
  • Findings for n>10 water clusters align with data for liquid water.

Conclusions:

  • Water clusters above a critical size (n>10) exhibit properties similar to bulk liquid water.
  • This technique allows for the study of bulk water structure using water clusters.
  • Multiphoton ionization at 355 nm is effective for studying larger water clusters.