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Title: Monocarbon cationic cluster yields from N{sub 2}/CH{sub 4} mixtures embedded in He nanodroplets and their calculated binding energies

The formation of monocarbon cluster ions has been investigated by electron ionization mass spectrometry of cold helium nanodroplets doped with nitrogen/methane mixtures. Ion yields for two groups of clusters, CH{sub m}N{sub 2}{sup +} or CH{sub m}N{sub 4}{sup +}, were determined for mixtures with different molecular ratios of CH{sub 4}. The possible geometrical structures of these clusters were analyzed using electronic structure computations. Little correlation between the ion yields and the associated binding energies has been observed indicating that in most cases kinetic control is more important than thermodynamic control for forming the clusters.
Authors:
;  [1] ;  [2] ; ; ;  [3] ; ;  [1]
  1. Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556 (United States)
  2. (United States)
  3. Institut für Ionenphysik und Angewandte Physik and Center of Molecular Biosciences Innsbruck, Universität Innsbruck, Technikerstraße 25, A-6020 Innsbruck (Austria)
Publication Date:
OSTI Identifier:
22255262
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BINDING ENERGY; CALCULATION METHODS; CONTROL; DOPED MATERIALS; ELECTRONIC STRUCTURE; ELECTRONS; HELIUM; ION PAIRS; IONIZATION; MASS SPECTROSCOPY; METHANE; MIXTURES; NITROGEN