Results 41 to 50 of about 3,914 (183)

Theoretical study of geometries and 1H-chemical shifts of cycloarenes

, 1985
The geometries of the cycloarenes 1–6 with 9–12 annelated benzene rings are determined by means of a π-SCF force-field approach. 1H-chemical shifts are calculated by taking into account ring current and local anisotropic contributions.
Vogler, H.
core   +1 more source

Iterative Synthesis of Pentacene Derivatives with Continuous Boron–Oxygen Bonds

Angewandte Chemie International Edition, EarlyView.
An iterative synthetic strategy enables the controlled introduction of continuous multiple B–O bonds at the zigzag edge of acenes. A simple two‐step cycle—ipso iodination and Suzuki cross‐coupling/condensation—efficiently constructs BO‐acenes ranging from naphthalene to pentacene.
Seonghwa Jeong, Si‐In Kim, Jonghwan Lee, Hwon Kim, Jinuk Jang, Jiyeon Kim, Wonyoung Choe, Seung Kyu Min, Young S. Park   +8 more
wiley   +1 more source

Regiodivergent C3 and C4 Amination of Quinolines via Radical and Ionic Pathways

Angewandte Chemie, Volume 138, Issue 16, 13 April 2026.
A regiodivergent strategy converts a single N‐aminoquinolinium precursor into either C3‐ or C4‐aminated quinolines. Nucleophile‐induced dearomatization diverges into light‐driven N‐centered radical capture (C3) or base‐promoted SNAr (C4), enabling rapid assembly of aminoquinoline libraries and late‐stage diversification.
Ye‐Eun Kim, Jieun Kim, Juyeon Lee, Sungwoo Hong   +3 more
wiley   +2 more sources

From Intramolecular (Circular) in an Isolated Molecule to Intermolecular Hole Delocalization in a Two‐Dimensional Solid‐State Assembly: The Case of Pillarene [PDF]

, 2018
To achieve long‐range charge transport/separation and, in turn, bolster the efficiency of modern photovoltaic devices, new molecular scaffolds are needed that can self‐assemble in two‐dimensional (2D) arrays while maintaining both intra‐ and ...
Ivanov, Maxim V., Lindeman, Sergey V., Navale, Tushar S., Rathore, Rajendra, Wang, Denan   +4 more
core   +2 more sources

5,12‐TIPS‐Substitution of Tetracene: Effects on Redox Potentials and Cyclic Voltammetric Behavior in CH2Cl2 and THF1

Chemistry – A European Journal, EarlyView.
Tetracene and bis(tri(isopropyl)silylethynyl)tetracene (TIPS‐tetracene) exhibit characteristic similarities and differences in their electrochemical redox behavior depending on the base solvent of the electrolyte. Analysis of cyclic voltammograms allows the quantification of substituent and solvent effects and the calculation of an “electrochemical gap.
Holger F. Bettinger, Simon Schundelmeier, Bernd Speiser   +2 more
wiley   +1 more source

Structure, Stability, Edge States and Aromaticity of Graphene Ribbons

, 2008
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.
A. Marco Saitta, Ari P. Seitsonen, E. Clar, E. Clar, Francesco Mauri, M. W. Chase, Jr., Michele Lazzeri, Tobias Wassmann   +7 more
core   +3 more sources

Benzo[cd]azulenyl: A Structural Isomer of Phenalenyl—Synthesis and Properties of Its Tri‐tert‐butyl‐substituted Derivative and Formation of a Thermal‐ and Photoresponsive σ‐Dimer

Chemistry – A European Journal, EarlyView.
Benzo[cd]azulenyl, a nonalternant isomer of phenalenyl, is identified as a new member of the nonalternant hydrocarbon radical family. The tri‐tert‐butyl substituted derivative forms a stable σ‐dimer in the solid state. Upon exposure to external stimuli such as light and heat, the σ‐bond of the dimer dissociates, producing the monomeric radical.
Kaho Takeuchi, Akihito Konishi, Makoto Yasuda   +2 more
wiley   +1 more source

Unraveling Synergistic Regulation Mechanism in Nitrogen/Sulfur Co‐Doped Biomass‐Derived Hard Carbon Toward Durable Sodium‐Ion Battery Anodes

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Nitrogen/sulfur co‐doping optimizes the electron and spatial structure of biomass‐derived hard carbon, and the anode demonstrates superior long‐term cycling stability over 2000 cycles, validating an improved “adsorption‐intercalation‐pore filling” mechanism.
Qian Long, Fangyuan Zhang, Jiayu Qu, Songtao Li, Renfei Cheng, Yaning Zhao, Di Guo, Zhengwang Zhu, Haifeng Zhang   +8 more
wiley   +1 more source

Charge-Transfer Probes for Molecular Recognition \u3cem\u3evia\u3c/em\u3e Steric Hindrance in Donor-Acceptor Pairs [PDF]

, 1997
Molecular association of various aromatic hydrocarbons (D, including sterically hindered donors) with a representative group of diverse acceptors (A = quinone, trinitrobenzene, tetracyanoethylene, tropylium, tetranitromethane, and nitrosonium) is ...
Kochi, Jay K., Lindeman, Sergey V., Rathore, Rajendra   +2 more
core   +1 more source

Estrada Index of Benzenoid Hydrocarbons

Zeitschrift für Naturforschung A, 2007
A structure-descriptor EE, recently proposed by Estrada, is examined. If λ1, λ2, . . . ,λn are the eigenvalues of the molecular graph, then . In the case of benzenoid hydrocarbons with n carbon atoms and m carbon-carbon bonds, EE is found to be accurately ...
Ivan Gutman, Slavko Radenković
openaire   +1 more source