Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity
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- 14 July 2001
- journal article
- research article
- Published by American Chemical Society (ACS) in Organic Letters
- Vol. 3 (16) , 2465-2468
- https://doi.org/10.1021/ol016217v
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.This publication has 34 references indexed in Scilit:
- A New Graphical Model for Proton NMR (De)shielding over a Carbon-Carbon Double Bond to Replace the Shielding Cone ModelInternational Journal of Molecular Sciences, 2000
- Enhanced Aromaticity of the Transition Structures for the Diels−Alder Reactions of Quinodimethanes: Evidence from ab Initio and DFT ComputationsThe Journal of Organic Chemistry, 2000
- Proton chemical shifts in NMR. Part 14. Proton chemical shifts, ring currents and π electron effects in condensed aromatic hydrocarbons and substituted benzenesJournal of the Chemical Society, Perkin Transactions 2, 2000
- Are Oxocarbon Dianions Aromatic?The Journal of Organic Chemistry, 2000
- Experimental Determination of the Antiaromaticity of CyclobutadieneScience, 1999
- The 16 kcal/mol Anomaly: Alteration of [2 + 2 + 2] Cycloaddition Rates by Through-Bond InteractionsJournal of the American Chemical Society, 1999
- An Experimental Thermochemical and Theoretical Study of Triquinacene: Definitive Disproof of Its Neutral HomoaromaticityJournal of the American Chemical Society, 1998
- Theoretical Studies of the Structure, Aromaticity, and Magnetic Properties of o‐BenzyneAngewandte Chemie International Edition in English, 1997
- Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity ProbeJournal of the American Chemical Society, 1996
- Nuclear Resonance Spectra of Hydrocarbons: The Free Electron ModelJournal of the American Chemical Society, 1957