Results 141 to 150 of about 37,517 (252)

Thermally Activated Delayed Fluorescence: An Extended Study of Peripherally Substituted DMAC‐TRZ Analogues

Chemistry – A European Journal, EarlyView.
A comprehensive experimental and theoretical study is presented of a family of TADF dyes. Comparing the behavior of structurally related dyes, we uncover the subtle and somewhat unexpected role of conformational degrees of freedom associated with peripheral groups that affect the delicate interplay of excited states that governs spin–orbit coupling ...
Andrea Landi, Ottavia Racchi, D. K. Andrea Phan Huu, Shohei Fukushima, Katsuaki Suzuki, Hironori Kaji, Cristina Sissa, Anna Painelli   +7 more
wiley   +1 more source

When Dihedral Angles Mask Denticity in Molecular Conductance. [PDF]

Chemphyschem
Batzinger K, Dyer D, Peiris MDHC, El-Assaad TH, Arachchige RYA, LaMotte S, McGrath DV, Monti OLA, Smeu M.   +8 more
europepmc   +1 more source

Interplay of Bridge Topology and Conformation in Phenylene‐Bridged Trityl Diradicals

Chemistry – A European Journal, EarlyView.
We present a meta‐phenylene‐bridged trityl diradical that exhibits an unexpectedly weak antiferromagnetic exchange coupling J with a strong environment‐dependent magnitude. Combined VSM, EPR, DFT, and MD studies reveal that structural flexibility modulates σ‐, π‐, and through‐space exchange contributions, highlighting the crucial role of geometry in ...
Kevin Lars Kopp, Tobias Hett, Andrea Pellegrini, Stefan Grimme, Olav Schiemann   +4 more
wiley   +1 more source

Bifunctional Catalysis of a Crossed Aldol Condensation by Diamines: Impact of Tether Composition and Length. [PDF]

J Org Chem
Lampkin PP, Roberts RC, Czeslawski B, Gellman SH.   +3 more
europepmc   +1 more source

π‐Extended Salphen Scaffolds Enable CO2 Electroreduction and Singlet Oxygen Generation

Chemistry – A European Journal, EarlyView.
New family of π‐extended salen ligands bearing phenylene bridge and tunable phenyl‐based substituents, and their corresponding boron difluoride complexes. Thanks to the extended π‐delocalization over the molecule, the ligands themselves show promising results in electrochemical CO2 reduction to CO, while the complexes act as efficient photosensitizers ...
Vincenzo Langellotti, André Korzun, Morgan J. McKee, Massimo Melchiorre, Taegeun Jo, J. Felipe Estrada‐Ruiz, Gregor Schnakenburg, Stefano Crespi, Francesco Ruffo, Nikolay Kornienko, Alessandro Bismuto   +10 more
wiley   +1 more source

Conformational bifurcation drives dual transport regimes in molecular junctions: Unsupervised machine learning insights. [PDF]

Smart Mol
Chen Y, Bâldea I, Koren E, Xie Z.
europepmc   +1 more source

A Cytosine‑Bulged (3+1) Hybrid G‑Quadruplex Formed by the Chicken DNA Replication Origin

Chemistry – A European Journal, EarlyView.
The first high‐resolution structure of an OGRE‐derived G‐quadruplex from the chicken β‐globin replication origin reveals an intramolecular three‐layer (3+1) hybrid fold with a cytosine bulge and an unprecedented 5'‐outer‐quartet anti guanine, creating a distinctive surface for molecular recognition.
Yingying You, Monica Ching Suen, Haitao Miao, Yanyan Geng, Rahman Ud Din, Mu Yuan, Qiang Xue, Xiaoting Li, Naining Xu, Zhihong Guo, Hon‐Ming Lam, Kwok‐Wai Lo, Changdong Liu, Guang Zhu   +13 more
wiley   +1 more source

A programmable bifunctional flavoenzyme for direct amine-to-ester conversion. [PDF]

Sci Adv
Wu Y, Song W, Wei W, Liu L, Wu J.
europepmc   +1 more source

Coordination Chemistry of Boron Subphthalocyanine With BINOL Derivatives: Unexpected Oxidation to Oxa[4]Helicene and Properties of the Resulting Axially Coordinated Complexes Containing Oxa[4]Helicene and/or BINOL Derivatives

Chemistry – A European Journal, EarlyView.
Treatment of BINOL with a boron subphthalocyanine derivative resulted in the formation of a complex coordinated to an oxa[4]helicene derivative, which is generated via a ring‐closure reaction of BINOL. In contrast, treatment of the monomethyl ether of 1,1′‐bi‐2‐naphthol (BINOL) afforded the expected axially coordinated complex.
Shafikul Islam, Kazuyuki Asahi, Hiroyuki Nishikawa, Daiki Tauchi, Masashi Hasegawa, Ken‐ichi Sugiura   +5 more
wiley   +1 more source

Revisiting the Explanations of the Beta-Sheet Twist and Its Handedness. [PDF]

Int J Mol Sci
Ruth B, Fichtner M, Schuster S.
europepmc   +1 more source