ITEM METADATA RECORD
Title: THE GAS-PHASE NITROGEN DISULFIDE RADICAL (SNS)
Authors: Nguyen, Minh Tho ×
FLAMMANG, R
GOLDBERG, N
SCHWARZ, H #
Issue Date: 1995
Publisher: ELSEVIER SCIENCE BV
Series Title: Chemical Physics Letters vol:236 issue:3 pages:201-205
Conference: date:UNIV MONS,ORGAN CHEM LAB,B-7000 MONS,BELGIUM; TECH UNIV BERLIN,INST ORGAN CHEM,D-10623 BERLIN,GERMANY
Abstract: Collisional activation and neutralization-reionization mass spectrometric experiments provide evidence for the gas phase existence of the symmetrical nitrogen disulfide radical (S=N=S, (2)A(1)) as well as the corresponding cation (S=N=S+, (1) Sigma(g)(+)). Thiadiazolothiadiazole has been employed as the precursor. Ab initio molecular orbital calculations at the QCISD(T)/6-311+ + G(3df, 2p)//MP2/6-311+ + G(d, p)+ ZPE level lead to the following thermochemical data: heats of formation at 0 K (Delta H-f,0(0) in kcal/mol): S=N=S: 66 +/- 3, N=S-S: 85 +/- 3, S=N=S+: 240 +/- 3, N=S-S+: 311 +/- 3 and HS-N=S: 59 +/- 3; proton affinity PA(SNS) = 169 +/- 3 kcal/mol and ionization energies IE(a)(SNS) = 7.5 +/- 0.2 eV and IE(a)(HS-N=S) = 8.7 +/- 0.2 eV.
ISSN: 0009-2614
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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