78313-73-2Relevant academic research and scientific papers
Azimuthal Dipolar Rotor Arrays on Surfaces
Berndt, Richard,Hamer, Sebastian,Herges, Rainer,Li, Chao,R?hricht, Fynn,von Glasenapp, Jan-Simon
, p. 17452 - 17458 (2021/11/10)
A set of dipolar molecular rotor compounds was designed, synthesized and adsorbed as self-assembled 2D arrays on Ag(111) surfaces. The title molecules are constructed from three building blocks: (a) 4,8,12-trioxatriangulene (TOTA) platforms that are known to physisorb on metal surfaces such as Au(111) and Ag(111), (b) phenyl groups attached to the central carbon atom that function as pivot joints to reduce the barrier to rotation, (c) pyridine and pyridazine units as small dipolar units on top. Theoretical calculations and scanning tunneling microscopy (STM) investigations hint at the fact that the dipoles of neighboring rotors interact through space through pairs of energetically favorable head-to-tail arrangements.
High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design**
Jelfs, Kim E.,Lewis, James E. M.,Tarzia, Andrew
supporting information, p. 20879 - 20887 (2021/08/13)
Unsymmetrical ditopic ligands can self-assemble into reduced-symmetry Pd2L4 metallo-cages with anisotropic cavities, with implications for high specificity and affinity guest-binding. Mixtures of cage isomers can form, however, resulting in undesirable system heterogeneity. It is paramount to be able to design components that preferentially form a single isomer. Previous data suggested that computational methods could predict with reasonable accuracy whether unsymmetrical ligands would preferentially self-assemble into single cage isomers under constraints of geometrical mismatch. We successfully apply a collaborative computational and experimental workflow to mitigate costly trial-and-error synthetic approaches. Our rapid computational workflow constructs unsymmetrical ligands and their Pd2L4 cage isomers, ranking the likelihood for exclusively forming cis-Pd2L4 assemblies. From this narrowed search space, we successfully synthesised four new, low-symmetry, cis-Pd2L4 cages.
Visible-Light-Photosensitized Aryl and Alkyl Decarboxylative Functionalization Reactions
Patra, Tuhin,Mukherjee, Satobhisha,Ma, Jiajia,Strieth-Kalthoff, Felix,Glorius, Frank
supporting information, p. 10514 - 10520 (2019/07/12)
Despite significant progress in aliphatic decarboxylation, an efficient and general protocol for radical aromatic decarboxylation has lagged far behind. Herein, we describe a general strategy for rapid access to both aryl and alkyl radicals by photosensitized decarboxylation of the corresponding carboxylic acids esters followed by their successive use in divergent carbon–heteroatom and carbon–carbon bond-forming reactions. Identification of a suitable activator for carboxylic acids is the key to bypass a competing single-electron-transfer mechanism and “switch on” an energy-transfer-mediated homolysis of unsymmetrical σ-bonds for a concerted fragmentation/decarboxylation process.
SYNTHESIS OF MESOMORPHIC 2-ALKYL-5-(p-CYANOPHENYL)PYRIDINES
Pavlyuchenko, A. I.,Kovshev, E. I.,Titov, V. V.
, p. 69 - 72 (2007/10/02)
A new series of liquid-crystal derivatives of 2-alkyl-5-(p-cyanophenyl)pyridines were obtained by halogenation of 2-alkyl-5-phenylpyridines under the conditions of the Birckenbach-Gubo-Waters reaction with subsequent conversion of the 2-alkyl-5-(p-bromo- or iodophenyl)pyridines to the cyano derivatives.
