Stable Structures of Nitrogen-Rich Sulfides: S(N3)m (m = 1-4)

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DOIResolve DOI: http://doi.org/10.1021/jp022074yS1089-5639(02)02074-1
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TypeArticle
Journal titleThe Journal of Physical Chemistry A
ISSN1089-5639
Volume107
Issue12
Pages20802084; # of pages: 5
AbstractStable structures of neutral, positive, and negative nitrogen-rich sulfides S(N3)m (m = 1-4) were studied. Three minima of S(N3)2, one of S(N3)22+, one of S(N3)3+ and one of S(N3)4 were optimized. An isomerization reaction pathway of SN3-, and dissociation reaction pathways of SN3- and SN3+ were investigated. The special properties of a sulfur atom, a large atomic radius and a loose electron density, allow the sulfur atom to link to several nitrogen atoms, and nitrogen-rich sulfides SNx (or ions) can be formed easily. The properties of high energy-density of S(N3)x were investigated.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedYes
Identifier16891788
NPARC number12328049
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Record identifier57d28129-2821-4296-a640-7335ec04975c
Record created2009-09-10
Record modified2017-03-23
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