Literature DB >> 29446959

Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity.

Paul von Ragué Schleyer1, Mariappan Manoharan1, Zhi-Xiang Wang1, Boggavarapu Kiran1, Haijun Jiao1, Ralph Puchta1, Nicolaas J R van Eikema Hommes1.   

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.

Entities:  

Year:  2001        PMID： 29446959     DOI： 10.1021/ol016217v

Source DB:  PubMed          Journal:  Org Lett        ISSN： 1523-7052            Impact factor:   6.005


  7 in total

1.  Why are rhodanines less efficient reagents in Diels-Alder reactions than isorhodanines? A quantum chemical study.

Authors:  Waldemar Tejchman; Michal Michalski; Krzysztof K Zborowski; Slawomir Berski
Journal:  J Mol Model       Date:  2019-06-14       Impact factor: 1.810

2.  Thermodynamic stability, structural and electronic properties for the C20-nAln heterofullerenes (n = 1-5): a DFT study.

Authors:  Akbar Hassanpour; Semih Yasar; Abdolghaffar Ebadi; Saeideh Ebrahimiasl; Sheida Ahmadi
Journal:  J Mol Model       Date:  2021-04-06       Impact factor: 1.810

3.  Facile C-H bond cleavage via a proton-coupled electron transfer involving a C-H...Cu(II) interaction.

Authors:  Xavi Ribas; Carlos Calle; Albert Poater; Alicia Casitas; Laura Gómez; Raül Xifra; Teodor Parella; Jordi Benet-Buchholz; Arthur Schweiger; George Mitrikas; Miquel Solà; Antoni Llobet; T Daniel P Stack
Journal:  J Am Chem Soc       Date:  2010-09-08       Impact factor: 15.419

4.  A study of the aromaticity of heteroannelated cyclooctatetraene derivatives.

Authors:  Ablimit Abdukadir; Aygul Mattursun; Ablikim Kerim; Kamalbek Omar; Lutpulla Hushur
Journal:  J Mol Model       Date:  2018-05-02       Impact factor: 1.810

5.  Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field.

Authors:  Ricardo Pino-Rios; Gloria Cárdenas-Jirón; Lina Ruiz; William Tiznado
Journal:  ChemistryOpen       Date:  2019-03-12       Impact factor: 2.911

6.  Bonding, Aromaticity and Isomerization of Furfuraldehyde through Off-Nucleus Isotropic Magnetic Shielding.

Authors:  Muntadar A H Al-Yassiri
Journal:  ChemistryOpen       Date:  2021-10       Impact factor: 2.630

7.  Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity.

Authors:  Felix Plasser; Florian Glöcklhofer
Journal:  European J Org Chem       Date:  2021-05-05
  7 in total

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