A DFT study on dihydropyrazine annulated linear polyacenes: aromaticity, stability and HOMO–LUMO energy modulation-Reference-Cited by-同舟云学术

A DFT study on dihydropyrazine annulated linear polyacenes: aromaticity, stability and HOMO–LUMO energy modulation

Published:2016 Issue:35 Volume:18 Page:24631-24641
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rakhi Ramachandran¹²³⁴⁵,Suresh Cherumuttathu H.¹²³⁴⁵

Affiliation:

1. Chemical Sciences and Technology Division

2. Academy of Scientific and Innovative Research (AcSIR)

3. CSIR–National Institute for Interdisciplinary Science and Technology (CSIR–NIIST)

4. Thiruvananthapuram 695019

5. India

Abstract

Linear polyacene (LPA) mimics containing up to 34 rings have been designed by annulating dihydropyrazine units to LPA cores and they showed enhanced aromatic character than the LPA due to significant mixing of the N-lone pairs with the carbon π-orbitals.

Funder

Council of Scientific and Industrial Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP03723B

Reference90 articles.

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