Electronic structure, aromaticity and spectra of hetero [8] circulenes

GV Baryshnikov, BF Minaev… - Russian Chemical …, 2015 - iopscience.iop.org
The present review highlights recent advances in experimental and theoretical chemistry
dealing with investigation of the electronic structures and physicochemical properties of …

Recent progress in quantum chemistry of hetero [8] circulenes

NN Karaush, GV Baryshnikov, VA Minaeva… - Molecular …, 2017 - Taylor & Francis
This mini-review presents recent advances in theory of electronic and spectral properties of
hetero [8] circulenes used as promising fluorescent emitters for organic light-emitting diodes …

Synthesis of heterocyclic [8] circulenes and related structures

T Hensel, NN Andersen, M Plesner, M Pittelkow - Synlett, 2016 - thieme-connect.com
In this account we give an overview of the synthesis and properties of heterocyclic [8]
circulenes. Much of the interest in studying heterocyclic [8] circulenes stems from the planar …

Aromaticity of the planar hetero [8] circulenes and their doubly charged ions: NICS and GIMIC characterization

GV Baryshnikov, RR Valiev, NN Karaush… - Physical Chemistry …, 2014 - pubs.rsc.org
A series of planar hetero [8] circulenes and their doubly charged ions are studied by the
NICS and GIMIC methods to interpret the aromatic properties of these high symmetry …

A fully conjugated planar heterocyclic [9] circulene

SK Pedersen, K Eriksen, H Ågren… - Journal of the …, 2020 - ACS Publications
Fully aromatic [n] circulenes have only been known to encompass up to eight aromatic rings
(n= 8), with no reports of endeavors in the synthesis of higher-order analogues (n> 8) …

Benzoannelated aza-, oxa-and azaoxa [8] circulenes as promising blue organic emitters

GV Baryshnikov, RR Valiev, NN Karaush… - Physical Chemistry …, 2016 - pubs.rsc.org
In the present work, we studied the synergetic effect of benzoannelation and NH/O-
substitution for enhancing the absorption intensity in a series of novel designed …

DFT characterization of a new possible graphene allotrope

NN Karaush, GV Baryshnikov, BF Minaev - Chemical Physics Letters, 2014 - Elsevier
In the present work we have studied the electronic and magnetic properties of the new one-
and two-dimensional π-conjugated materials containing biphenylene (Bp)-monomer on the …

Compressing a non‐planar aromatic heterocyclic [7] helicene to a planar hetero [8] circulene

B Lousen, SK Pedersen, P Bols… - … A European Journal, 2020 - Wiley Online Library
This work describes a synthetic approach where a non‐planar aromatic heterocyclic [7]
helicene is compressed to yield a hetero [8] circulene containing an inner antiaromatic …

Tetrathio and tetraseleno [8] circulenes: synthesis, structures, and properties

X Xiong, CL Deng, BF Minaev… - Chemistry–An Asian …, 2015 - Wiley Online Library
Novel sulfur and selenium‐bridged [8] circulenes were prepared from
octabromotetraphenylene. Structures of these compounds were unambiguously confirmed …

Aromaticity of the doubly charged [8] circulenes

GV Baryshnikov, RR Valiev, NN Karaush… - Physical Chemistry …, 2016 - pubs.rsc.org
Magnetically induced current densities and current pathways have been calculated for a
series of fully annelated dicationic and dianionic tetraphenylenes, which are also named [8] …