Quantum Chemical Studies of Aromatic Substitution Reactions
In this thesis, density functional theory (DFT) is used to investigate the mechanisms and reactivities of electrophilic and nucleophilic aromatic substitution reactions (SEAr and SNAr respectively). For SEAr, the σ-complex intermediate is preceded by one (halogenation) or two (nitration) π-complex i...
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| Format: | Doctoral Thesis |
| Language: | English |
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KTH, Tillämpad fysikalisk kemi
2017
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-206964 http://nbn-resolving.de/urn:isbn:978-91-7729-324-8 |