ISSN:
1432-2234
Keywords:
Instability
;
Sulfur
;
Nitrogen systems
;
Electron-rich systems
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The HF singlet stability of the S4N 4 2+ dication is investigated. At the experimental bond length, R SN=1.545 Å, the D 4h solution is stable but at 2.00 Å a C 2v broken symmetry solution is of lower energy. Population analysis shows that C 2v solution has a nitrogen “π-hole” on one of the unique nitrogens. The sulphur π-hole (found for the anion S3N 3 − at this distance) is not a local minimum.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00531148
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