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Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity
Organic Letters · 2001 · Vol. 3(16) · pp. 2465–2468
Paul von Ragué Schleyer✉(University of Georgia)Mariappan Manoharan(University of Georgia)Zhixiang Wang(Friedrich-Alexander-Universität Erlangen-Nürnberg)Boggavarapu Kiran(Friedrich-Alexander-Universität Erlangen-Nürnberg)Haijun Jiao(University of Georgia)Ralph Puchta(University of Georgia)Nicolaas J. R. van Eikema Hommes(University of Georgia)
Abstract
Analysis of the basic π-aromatic (benzene) and antiaromatic (cyclobutadiene) systems by dissected nucleus-independent chemical shifts (NICS) shows the contrasting diatropic and paratropic effects, but also reveals subtleties and unexpected details.
Synthesis and Properties of Aromatic CompoundsAdvanced NMR Techniques and ApplicationsAxial and Atropisomeric Chirality SynthesisAntiaromaticityCyclobutadieneAromaticityChemistryNucleusChemical shiftBenzeneComputational chemistryMoleculeOrganic chemistry
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References
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
Journal of the American Chemical Society · 1996 · 6,088 citations
What is aromaticity?
Pure and Applied Chemistry · 1996 · 954 citations
Density-functional thermochemistry. III. The role of exact exchange
The Journal of Chemical Physics · 1993 · 101,526 citations
Aromaticity: a Theoretical Concept of Immense Practical Importance
Tetrahedron · 2000 · 531 citations
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