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Hydrogen Bonding Interactions Can Decrease Clar Sextet Character in Acridone Pigments

2021 ◽  
Author(s):  
Zhili Wen ◽  
Lucas Jose Karas ◽  
Judy Wu
Keyword(s):  
Hydrogen Bonding ◽  
Chemical Shifts ◽  
Magnetic Shielding ◽  
Induced Current ◽  
Hydrogen Bonding Interactions ◽  
Contour Plots ◽  
Clar Sextet

Computed nucleus-independent chemical shifts (NICS), contour plots of isotropic magnetic shielding (IMS), and gauge-including magnetically induced current (GIMIC) plots suggest that polarization of the π-system of acridones may perturb the...

Correlation Between Clar Sextet Theory and Electronic Properties of Chromophores: An Ab Initio Study

2017 ◽  
Vol 14 (3) ◽  
pp. 1524-1527
Author(s):  
Eliezer Pereira Cavalheiro ◽  
Marcos Vinícius Pereira Cardoso ◽  
Silvia Patrícia De Souza ◽  
Mário EdsonS. Sousa ◽  
Marcos Allan Leite Dos Reis
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
Ab Initio Study ◽  
Clar Sextet

Molecular asphaltene models based on Clar sextet theory

RSC Advances ◽  
2015 ◽  
Vol 5 (1) ◽  
pp. 753-759 ◽  
Author(s):  
Francisco J. Martín-Martínez ◽  
Elham H. Fini ◽  
Markus J. Buehler
Keyword(s):  
Aromatic Rings ◽  
Clar Sextet

Asphaltene isomers proposed using Clar sextet theory. the new arrangement of aromatic rings optimizes the location of pi-sextets.

Understanding Aromaticity of Graphene and Graphene Nanoribbons by the Clar Sextet Rule

2013 ◽  
pp. 29-49 ◽  
Author(s):  
Dihua Wu ◽  
Xingfa Gao ◽  
Zhen Zhou ◽  
Zhongfang Chen
Keyword(s):  
Graphene Nanoribbons ◽  
Clar Sextet

scholarly journals Clar Sextet Analysis of Triangular, Rectangular, and Honeycomb Graphene Antidot Lattices

ACS Nano ◽  
2010 ◽  
Vol 5 (1) ◽  
pp. 523-529 ◽  
Author(s):  
René Petersen ◽  
Thomas Garm Pedersen ◽  
Antti-Pekka Jauho
Keyword(s):  
Clar Sextet

Unraveling the Reactivity of Semiconducting Chiral Carbon Nanotubes through Finite-Length Models Based on Clar Sextet Theory

2008 ◽  
Vol 113 (3) ◽  
pp. 862-866 ◽  
Author(s):  
Matteo Baldoni ◽  
Daniele Selli ◽  
Antonio Sgamellotti ◽  
Francesco Mercuri
Keyword(s):  
Carbon Nanotubes ◽  
Finite Length ◽  
Chiral Carbon ◽  
Clar Sextet

Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory

2008 ◽  
Vol 464 (4-6) ◽  
pp. 202-207 ◽  
Author(s):  
Matteo Baldoni ◽  
Antonio Sgamellotti ◽  
Francesco Mercuri
Keyword(s):  
Electronic Properties ◽  
Graphene Nanoribbons ◽  
Clar Sextet
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