0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds
The 0–0 energies of 80 medium and large molecules have been computed with a large
panel of theoretical formalisms. We have used an approach computationally tractable for …
panel of theoretical formalisms. We have used an approach computationally tractable for …
Rh-catalyzed [2+ 2+ 2] cycloadditions with benzoquinones: de novo access to naphthoquinones for lignan and type II polyketide synthesis
JM Wood, EN da Silva Junior, JF Bower - Organic letters, 2019 - ACS Publications
The first examples of Rh-catalyzed [2+ 2+ 2] cycloadditions between diynes and
benzoquinones are described. The method enables de novo and step-economical access to …
benzoquinones are described. The method enables de novo and step-economical access to …
Non-symmetric 9, 10-diphenylanthracene-based deep-blue emitters with enhanced charge transport properties
T Serevičius, R Komskis, P Adomėnas… - Physical Chemistry …, 2014 - pubs.rsc.org
Realization of efficient deep-blue anthracene-based emitters with superior film-forming and
charge transport properties is challenging. A series of non-symmetric 9, 10 …
charge transport properties is challenging. A series of non-symmetric 9, 10 …
Synthesis, Structure and Photophysical Properties of a New Class of Inherently Chiral Boron(III) Chelates—The tert‐Leucine Complexes
N Algoazy, JG Knight, PG Waddell… - … A European Journal, 2021 - Wiley Online Library
A new family of boron (III) chelates is introduced whereby molecular chirality, confirmed by
circular dichroism, is imported during synthesis such that isolation of the diastereoisomers …
circular dichroism, is imported during synthesis such that isolation of the diastereoisomers …
K‐Region‐Extended [c]‐Heteroannulated Pyrenes
K Baumgärtner, T Kirschbaum, F Krutzek… - … A European Journal, 2017 - Wiley Online Library
Extended fused aromatic compounds are promising materials for organic electronics.
Among them, structures with five‐membered annulated rings differ from those consisting …
Among them, structures with five‐membered annulated rings differ from those consisting …
Synthesis of Annulated Anthracenes, Carbazoles, and Thiophenes Involving Bradsher‐Type Cyclodehydration or Cyclization–Reductive‐Dehydration Reactions
SM Rafiq, R Sivasakthikumaran… - European Journal of …, 2015 - Wiley Online Library
Abstract A conventional BF3· OEt2‐mediated Bradsher‐type cyclodehydration of 2‐
arylmethyl benzaldehydes in CH2Cl2 at room temperature gave polycyclic aromatic and …
arylmethyl benzaldehydes in CH2Cl2 at room temperature gave polycyclic aromatic and …
Effect of the nature of the core on the properties of the star-shaped compounds containing bicarbazolyl moieties
NA Kukhta, D Volyniuk, JV Grazulevicius… - The Journal of …, 2016 - ACS Publications
Three star-shaped compounds containing bicarbazolyl side arms and various core moieties
are described. Bicarbazolyl moiety proves to be a stronger donor than single carbazolyl …
are described. Bicarbazolyl moiety proves to be a stronger donor than single carbazolyl …
Cascade reaction for the synthesis of polycyclic aromatic hydrocarbons via transient directing group strategy
Z Wang, W Dong, B Sun, Q Yu, FL Zhang - Tetrahedron, 2019 - Elsevier
A Pd (II)-catalyzed cascade synthesis of diverse polycyclic aromatic hydrocarbons via
transient directing group strategy has been developed, involving the consecutive arylation …
transient directing group strategy has been developed, involving the consecutive arylation …
Impact of non-symmetric 2, 9, 10-aryl substitution on charge transport and optical properties of anthracene derivatives
T Serevičius, P Adomėnas, O Adomėnienė… - Dyes and …, 2015 - Elsevier
A new methodology for the synthesis of non-symmetric 2, 9, 10-arylanthracenes is proposed.
The anthracenes were intentionally decorated with non-symmetric aryls to improve charge …
The anthracenes were intentionally decorated with non-symmetric aryls to improve charge …
Visible light enabled [4+ 2] annulation reactions for anthracenone-furans from 2, 3-dibromonaphthoquinone and phenylbenzofurans
Z Mao, A Huang, L Ma, M Zhang - RSC advances, 2021 - pubs.rsc.org
A facile visible light promoted approach to anthracenone-furans from readily available 2, 3-
dibromonaphthoquinones and phenylbenzofurans via a formal Diels Alder reaction is …
dibromonaphthoquinones and phenylbenzofurans via a formal Diels Alder reaction is …