Tracing the transition from covalent to non-covalent functionalization of pyrene through C-, N-, and O-based ionic and radical substrates using quantum mechanical calculations

Author:

Pandey Anwesh1ORCID,Kumar Nandan1ORCID

Affiliation:

1. Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat 785006, Assam, India

Abstract

Probing the transition of covalent functionalization to non-covalent functionalization of pyrene while methylation and phenylation of ionic and radical substrates.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Reference55 articles.

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2. Q.Miao , Polycyclic Arenes and Heteroarenes: Synthesis, Properties, and Application , Wiley-VCH , Weinheim , 2016

3. Structural and electronic properties of graphene nanoflakes

4. Forever young: polycyclic aromatic hydrocarbons as model cases for structural and optical studies

5. Aromatic Molecular-Bowl Hydrocarbons:  Synthetic Derivatives, Their Structures, and Physical Properties

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