Exploration of the π-Electronic Structure of Singlet, Triplet, and Quintet States of Fulvenes and Fulvalenes Using the Electron Localization Function
Author:
Affiliation:
1. Department of Chemistry – BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden
2. Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp3032397
Reference77 articles.
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3. Two sources of the decrease of aromaticity: Bond length alternation and bond elongation. Part II. An analysis based on geometry of the singlet and triplet states of 4nπ annulenes: C4H4, C5H5+, C6H62+, C7H7−, C8H8, C9H9+
4. Ring-current aromaticity in triplet states of 4n π electron monocycles
5. Nucleus-Independent Chemical Shifts (NICS): Distance Dependence and Revised Criteria for Aromaticity and Antiaromaticity
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