Please use this identifier to cite or link to this item:;2-S
Title: Ethenedithione (S=C=C=S): Does it obey Hund's rule?
Authors: Ma, N.L. 
Wong, M.W. 
Keywords: Ab initio calculations
Electronic structure
Issue Date: 4-Jan-1999
Citation: Ma, N.L.,Wong, M.W. (1999-01-04). Ethenedithione (S=C=C=S): Does it obey Hund's rule?. Angewandte Chemie - International Edition 37 (24) : 3402-3404. ScholarBank@NUS Repository.;2-S
Abstract: Significantly higher in energy (24 kJ mol-1) than the triplet ground state (3Σ(g/-)) is the 1Δ(g) state of ethenedithione (S = C = C = S), in agreement with Hund's rule. This result was obtained from high-level ab initio calculations. Thus, ethenedithione cannot, as had been proposed, be considered as the first example for the violation of Hund's rule in an equilibrium structure.
Source Title: Angewandte Chemie - International Edition
ISSN: 14337851
DOI: 10.1002/(SICI)1521-3773(19981231)37:243.0.CO;2-S
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

Page view(s)

checked on Sep 7, 2023

Google ScholarTM



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.