Literature DB >> 11798340

Retrosynthetic analysis of fullerene C(60): structure, stereochemistry, and calculated stability of C(30) fragments.

Florence Geneste1, Alec Moradpour, Georges Dive, Daniel Peeters, Jacques Malthête, Jean-François Sadoc.   

Abstract

The total number of possible retrosynthetic bisections of C(60) leads to nine different isometric C(30) fragments. These molecules include five chiral units, four of which derive from partitions corresponding to four distinct "Coupes du Roi". The energies, curvatures, and homodesmotic stabilization energies of the C(30) fragments are evaluated at the ab initio 6-31G level.

Entities:  

Year:  2002        PMID： 11798340     DOI： 10.1021/jo016197a

Source DB:  PubMed          Journal:  J Org Chem        ISSN： 0022-3263            Impact factor:   4.354


  4 in total

1.  Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries.

Authors:  Razieh Razavi; Seyyed Milad Abrishamifar; Gholamreza Ebrahimzadeh Rajaei; Mohammad Reza Rezaei Kahkha; Meysam Najafi
Journal:  J Mol Model       Date:  2018-02-21       Impact factor: 1.810

2.  The Diels-Alder Cycloaddition Reaction of Substituted Hemifullerenes with 1,3-Butadiene: Effect of Electron-Donating and Electron-Withdrawing Substituents.

Authors:  Martha Mojica; Francisco Méndez; Julio A Alonso
Journal:  Molecules       Date:  2016-02-12       Impact factor: 4.411

3.  Growth of fullerene fragments using the Diels-Alder cycloaddition reaction: first step towards a C60 synthesis by dimerization.

Authors:  Martha Mojica; Francisco Méndez; Julio A Alonso
Journal:  Molecules       Date:  2013-02-13       Impact factor: 4.411

4.  Dimerization of pentacyclopentacorannulene C30H10 as a strategy to produce C60H20 as a precursor for C60.

Authors:  Arlette Richaud; María J López; Martha Mojica; Julio A Alonso; Francisco Méndez
Journal:  RSC Adv       Date:  2020-01-22       Impact factor: 4.036
  4 in total

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