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phenalenyl (80) 80
chemistry, multidisciplinary (53) 53
chemistry (37) 37
chemistry, physical (29) 29
phenalenyl radicals (27) 27
radicals (26) 26
chemistry, organic (22) 22
crystal-structure (21) 21
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physics, atomic, molecular & chemical (17) 17
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analysis (15) 15
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aromaticity (12) 12
density functionals (12) 12
design (12) 12
materials science, multidisciplinary (12) 12
organic metals (12) 12
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dimers (11) 11
radical molecular conductors (11) 11
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bistability (10) 10
chemical properties (10) 10
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chemistry, inorganic & nuclear (9) 9
closed-shell (9) 9
molecular conductors (9) 9
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chemical bonds (8) 8
conductance (8) 8
crystallography (8) 8
density functional calculations (8) 8
diradical character (8) 8
hydrocarbons (8) 8
sigma-bond (8) 8
spectroscopy (8) 8
ab-initio (7) 7
crystal structure (7) 7
index medicus (7) 7
ligands (7) 7
magnetic properties (7) 7
molecules (7) 7
open-shell phenalenyl (7) 7
pancake (7) 7
structure (7) 7
c-c bonds (6) 6
charge transfer (6) 6
complexes (6) 6
crystals (6) 6
dimerization (6) 6
organic chemistry (6) 6
phenalenyl chemistry (6) 6
pi-dimers (6) 6
radical (6) 6
research (6) 6
usage (6) 6
2-electron (5) 5
aromatic compounds (5) 5
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bor (5) 5
boron (5) 5
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chemisches radikal (5) 5
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phenalenyl radical dimers (5) 5
physics, applied (5) 5
physics, condensed matter (5) 5
polycyclic aromatic hydrocarbons (5) 5
room-temperature (5) 5
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bond (4) 4
bonds (4) 4
catalysis (4) 4
cations (4) 4
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density functional theory (4) 4
diselenadiazolyl radicals (4) 4
electrochemistry (4) 4
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Journal of the American Chemical Society, ISSN 0002-7863, 02/2019, Volume 141, Issue 5, pp. 2169 - 2176
Extension of oxygen-embedded polycyclic aromatic hydrocarbons (PAHs), in particular with a defined topology, is synthetically challenging primarily because of... 
PERI-XANTHENOXANTHENE | POLYMERS | TRANSISTORS | TRANSPORT | PHOTOREDOX | CONVERSION | PHENALENYL | DERIVATIVES | CHEMISTRY, MULTIDISCIPLINARY | CYCLIZATION | MOLECULES
Journal Article
Nature Chemistry, ISSN 1755-4330, 03/2011, Volume 3, Issue 3, pp. 197 - 204
Journal Article
JOURNAL OF ORGANIC CHEMISTRY, ISSN 0022-3263, 11/2019, Volume 84, Issue 21, pp. 13490 - 13502
Herein, we describe the first transition-metal-free catalytic carboalkoxylation of styrenes with aryl diazonium salts by Meerwein addition in the presence of a... 
ALCOHOLS | ALKENES | GOLD | AMINOARYLATION | BONDS | CHEMISTRY, ORGANIC | LIGAND | CLOSED-SHELL | PHENALENYL | SALTS | OXYARYLATION
Journal Article
Combustion and Flame, ISSN 0010-2180, 03/2020, Volume 213, pp. 302 - 313
Ab initio calculations of the C H and C H potential energy surfaces related to the reaction of 1-acenaphthyl and methyl radicals and secondary isomerization of... 
Phenalene | Phenalenyl radical | Potential energy surface | Reaction mechanism | Rate constant | RRKM – Master Equation theoretical approach
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2018, Volume 24, Issue 67, pp. 17651 - 17655
Direct C−H arylation of arenes and heteroarenes to biaryls at ambient temperature has been accomplished using a phenalenyl‐supported iron(III) catalyst. The... 
base metals | phenalenyl radicals | C−H arylation | iron catalysts | radical catalysis | REAGENTS | ACID | BOND GROUND-STATE | C-H arylation | PHENALENYL | CHEMISTRY, MULTIDISCIPLINARY | METALS | CHEMISTRY | CHLORIDES | CLOSED-SHELL | Radicals | Pyridine | Catalysis | Chemical reduction | Organic chemistry | Pyridines | Temperature | Catalysts | Mathematical analysis | Aromatic compounds | Ambient temperature | Benzene | Iron | Potassium
Journal Article
CHEMICAL SCIENCE, ISSN 2041-6520, 11/2017, Volume 8, Issue 11, pp. 7798 - 7806
The radical-mediated transition metal-free approach for the direct C-H bond functionalization of arenes is considered as a cost effective alternative to... 
ACTIVATION | 1,10-PHENANTHROLINE | ELECTRON-TRANSFER | SPIN | BISTABILITY | HALOARENES | COUPLINGS | OPEN-SHELL PHENALENYL | CLOSED-SHELL | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES
Journal Article
Angewandte Chemie, ISSN 0044-8249, 07/2018, Volume 130, Issue 27, pp. 8216 - 8220
1‐Boraphenalenes have been synthesized by reaction of BBr3 with 1‐(aryl‐ethynyl)naphthalenes, 1‐ethynylnaphthalene, and 1‐(pent‐1‐yn‐1‐yl)naphthalene and they... 
Borylierungen | Bor | Phenalenyl | Aromatizität | Polycyclische aromatische Kohlenwasserstoffe | Boron | Cations | Naphthalene | Chemical synthesis | Aromatic compounds
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 04/2016, Volume 138, Issue 13, pp. 4665 - 4672
Direct evidence for sigma-bond fluxionality in a phenalenyl sigma dimer was successfully obtained by a detailed investigation of the solution-state dynamics of... 
DENSITY | NMR | SPECTROSCOPY | THERMOCHEMISTRY | STATE | CRYSTAL | PHENALENYL RADICAL DIMERS | PANCAKE | CHEMISTRY, MULTIDISCIPLINARY | DIMERIZATIONS | HYDROCARBON | Molecular dynamics | Usage | Chemical properties | Chemical compounds | Spectrum analysis
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 03/2018, Volume 83, Issue 6, pp. 3236 - 3244
Herein we report a transition-metal-free synthetic protocol for heterobiaryls, one of the most important pharmacophores in the modern drug industry, employing... 
ACTIVATION | ORGANIC METALS | SPIN | ARYL HALIDES | ARYLATION | CHEMISTRY | CHEMISTRY, ORGANIC | UNACTIVATED ARENES | HUMAN-IMMUNODEFICIENCY-VIRUS | OPEN-SHELL PHENALENYL | CLOSED-SHELL
Journal Article
Molecules (Basel, Switzerland), ISSN 1420-3049, 02/2019, Volume 24, Issue 4, p. 665
Recently, long-lived, organic radical species have attracted much attention from chemists and material scientists because of their unique electronic properties... 
π-conjugated radicals | anthryl | phenalenyl | fluorenyl | hydrocarbon radicals | persistent
Journal Article
by Sun, WY and Cui, XQ and Fan, ZQ and Nie, LY and Zhang, ZH
JOURNAL OF PHYSICS D-APPLIED PHYSICS, ISSN 0022-3727, 04/2019, Volume 52, Issue 15
Using nonequilibrium Green's function combined with density functional theory, we investigate the spin-resolved transport properties of a single porphycene... 
CONDUCTANCE | TRANSISTORS | PHYSICS, APPLIED | graphene nanoribbon | MOLECULE | negative differential resistance | density-functional theory | GRAPHENE | RESISTANCE | spin-filtering | PHENALENYL | JUNCTION
Journal Article
INORGANIC CHEMISTRY, ISSN 0020-1669, 05/2019, Volume 58, Issue 9, pp. 6495 - 6506
The exceptional performance of oxobenzene-bridged bis-1,2,3-dithiazolyls 6 as single-component neutral radical conductors arises from the presence of a... 
DESIGN | ORGANIC METALS | TRANSPORT-PROPERTIES | RESONATING VALENCE-BOND | DIMER | CRYSTAL-STRUCTURE | PHASE-TRANSITIONS | CHEMISTRY | STATE | PHENALENYL | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Journal of Organic Chemistry, ISSN 0022-3263, 01/2019, Volume 84, Issue 1, pp. 289 - 299
Main group metal based catalysis has been considered to be a cost-effective alternative way to the transition metal based catalysis, due to the high abundance... 
ACTIVATION | RESONATING VALENCE-BOND | ANILINES | BUTOXIDE | CHEMISTRY, ORGANIC | STATE | OPEN-SHELL PHENALENYL | CLOSED-SHELL | METAL-FREE | (HETERO)ARENES | PHOTOCATALYST
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 12/2018, Volume 713, pp. 26 - 31
In present work, we have studied the electronic transport properties of a single diketopyrrolopyrrole molecule connected to the gold electrode or the zigzag... 
CONDUCTANCE | RECTIFICATION | CARBON | NEGATIVE DIFFERENTIAL RESISTANCE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PHENALENYL | JUNCTION | Graphene | Analysis
Journal Article
The Chemical Record, ISSN 1527-8999, 02/2015, Volume 15, Issue 1, pp. 218 - 232
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 02/2017, Volume 139, Issue 4, pp. 1625 - 1635
A critical feature of the electronic structure of oxobenzene-bridged bisdithiazolyl radicals 2 is the presence of a low-lying LUMO which, in the solid state,... 
PHYSICAL-PROPERTIES | PI-DIMERS | CHARGE-TRANSFER SALTS | ORGANIC METALS | TRANSPORT-PROPERTIES | GROUND-STATE | RESONATING VALENCE-BOND | BISTHIASELENAZOLYL RADICALS | CRYSTAL-STRUCTURE | PHENALENYL | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, ISSN 1433-7851, 08/2017, Volume 56, Issue 34, pp. 10188 - 10191
Conjugated radicals are capable of forming p-stacking "pancake-bonded" dimers. Members of the family of triangulene hydrocarbons, non-Kekule neutral... 
pancake bonding | GROUND-STATE | SPIN | NONCOVALENT INTERACTIONS | PHENALENYL | CHEMISTRY, MULTIDISCIPLINARY | DIMERIZATIONS | graphene flakes | MULTIREFERENCE | triangulenes | DIMER | BISTABILITY | DFT computations | pi-stacking dimers | DICYANOMETHYLENE-SUBSTITUTED TRIANGULENE | HYDROCARBON
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2009, Volume 48, Issue 30, pp. 5482 - 5486
Two flavors: Intra‐ and intermolecular spin–spin interactions of unpaired electrons coexist and correlate in stacks of phenalenyl‐based singlet biradicals. The... 
phenalenyl | resonating valence bond | radicals | covalent bonding | spin–spin interaction | Covalent bonding | Phenalenyl | Spin-spin interaction | Radicals | Resonating valence bond | spin-spin interaction | BEHAVIOR | BOND GROUND-STATE | CRYSTAL | CHEMISTRY, MULTIDISCIPLINARY | DIMER | RADICAL MOLECULAR CONDUCTORS | CHEMISTRY | CHARACTER | HYDROCARBON
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 09/2017, Volume 19, Issue 36, pp. 24761 - 24768
pi-Stacking pancake bonding between radicals poses special challenges to density functional theories (DFTs) due to their shorter than van der Waals contact... 
THERMOCHEMICAL KINETICS | CRYSTAL-STRUCTURE | DFT-D | BROAD ACCURACY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | C-C BONDS | CORRELATION-ENERGY | CHEMISTRY, PHYSICAL | PHENALENYL | GENERALIZED GRADIENT APPROXIMATION | ELECTRONIC-STRUCTURE | LONG
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 06/2014, Volume 136, Issue 24, pp. 8626 - 8641
The electronic structure and associated magnetic properties of the 1,10-phenanthroline adducts of Cp-2*Yb are dramatically different from those of the... 
PHENALENYL RADICALS | 1,10-PHENANTHROLINE | DECAMETHYLYTTERBOCENE COMPLEXES | SPECTROSCOPY | LANTHANIDE COMPLEXES | X-RAY | AB-INITIO PSEUDOPOTENTIALS | CHEMISTRY, MULTIDISCIPLINARY | GROUND-STATES | DIMERIZATIONS | ELECTRONIC-STRUCTURE | Substitution reactions | Phenanthroline | Research | Electron configuration | Analysis
Journal Article
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