Please use this identifier to cite or link to this item:
|Title:||Ethenedithione (S=C=C=S): Does it obey Hund's rule?|
|Authors:||Ma, N.L. |
|Keywords:||Ab initio calculations|
|Source:||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. https://doi.org/10.1002/(SICI)1521-3773(19981231)37:243.0.CO;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|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Feb 16, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.