Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 128, Issue 4-6, Pages 419-431Publisher
SPRINGER
DOI: 10.1007/s00214-010-0805-8
Keywords
Electronic multicenter delocalization indices; Inorganic rings; Aromaticity; DFT calculations
Categories
Funding
- Spanish MICINN [CTQ2008-03077/BQU]
- Catalan DIUE [2009SGR637]
- MICINN [AP2005-2997]
- Ramon y Cajal
- Lundbeck Foundation Center
- Marie Curie IntraEuropean Fellowship [FP7/2007-2013, PIEF-GA-2008-221734]
- Polish Ministry of Science and Higher Education [N N204 215634]
Ask authors/readers for more resources
A series of monocyclic planar inorganic compounds with single, double, and triple (anti)aromatic character has been studied. The electron delocalization and aromaticity of these compounds have been assessed by means of two-center and multicenter electronic delocalization indices and their sigma-, pi-, and delta-components. Results show that these indices are excellent predictors of the sigma-, pi-, and delta-aromatic character of all-metal and semimetal clusters.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
