Results 211 to 220 of about 459,653 (272)

Homoleptic and Heteroleptic Carbones L1‐C‐L2

Angewandte Chemie, EarlyView.
DFT and CCSD(T) calculations reveal that heteroleptic carbones L₁–C–L2 are thermodynamically stable species even with a weakly binding donor such as N2. Bond strengths show no simple correlation with bond lengths. Weaker carbon‐ligand bonds in homoleptic complexes L1─C─L1 are mostly strengthened in heteroleptic carbons L1─C─L2, while stronger bonds L2 ...
Ya Hu, Jiayi Chen, Qin Ma, Lili Zhao, Gernot Frenking   +4 more
wiley   +1 more source

A predictive descriptor for the d-band center in intermetallic alloys accelerates the design of robust molecular switches. [PDF]

Chem Sci
Yang S, Zhou J, Zhang Y, Cao G, Ren JC, Liu W.   +5 more
europepmc   +1 more source

Donor–Acceptor Pentacene Analogues With Near‐Infrared Emission and Tunable Aromaticity

Angewandte Chemie, EarlyView.
Air‐ and photostable heterocyclic pentacene analogues with donor and acceptor groups flanking a para‐quinodimethane core exhibit large dipole moments, narrow bandgaps, reversible redox behavior, and NIR‐I to NIR‐II absorption and emission with pronounced solvatochromism.
Krzysztof Nowak, Olaf Morawski, Muhammad Yasir Mehboob, Maja Morawiak, Krzysztof Noworyta, Cina Foroutan‐Nejad, Marek Grzybowski   +6 more
wiley   +1 more source

Disentangling solvent effects on optical response via p-π and sp² lone-pair contributions in non-aromatic fused systems. [PDF]

Sci Rep
Ibrahim M, Yousuf A, Qureshi MZ, Arshad M, Ali MA.   +4 more
europepmc   +1 more source

Topology‐Dependent Coke Formation in the Catalytic Pyrolysis of Phenol Over HFAU and HZSM‐5 Zeolites

Angewandte Chemie, EarlyView.
The coke formation and speciation during the catalytic pyrolysis of lignin over different zeolite topologies were studied with a combination of operando EPR spectroscopy and ex situ pulsed techniques aided with DFT calculations. Operando EPR data showed that the coke formation in HFAU is fast compared to HZSM‐5.
Jörg W. A. Fischer, Allen Puente‐Urbina, Zeyou Pan, Mikhail Agrachev, Patrick Hemberger, Gunnar Jeschke, Jeroen A. van Bokhoven   +6 more
wiley   +1 more source

Determination of the structure and dynamics of linear polypeptide gramicidin A at atomic-scale resolution. [PDF]

RSC Adv
Laxmi Pradhan B, Sen P, Kumar A, Bhunia A, Kishor Dey K, Ghosh M.   +5 more
europepmc   +1 more source

A Free N‐Heterocyclic Carbene and Its Metal Complex

Angewandte Chemie, EarlyView.
Free N‐heterocyclic carbenes (NHCs) are directly visualized on ultrathin sodium‐chloride films on gold (NaCl/Au(111)) using scanning tunneling microscopy (STM), atomic force microscopy (AFM), and density functional theory (DFT). Submolecular imaging reveals their structure and frontier orbital.
Ankita Das, Tzu‐Chao Hung, Andreas Rank, Felix Giselbrecht, Jonas Schön, Mowpriya Das, Nikos Doltsinis, Saeed Amirjalayer, Jascha Repp, Frank Glorius   +9 more
wiley   +1 more source

Occupational exposure at petrol stations and red- green colour vision deficiency: a case-control study from Sudan. [PDF]

BMC Public Health
Ali IA, Ahmedelbashir Abdelrahman S, Magzoub AA.   +2 more
europepmc   +1 more source

Alkyne‐Based Dual‐Function Self‐Assembled Monolayers for Efficient and Stable p‐i‐n Perovskite Solar Cells

Angewandte Chemie, EarlyView.
A novel molecular design strategy is employed to modify the D–A type SAM using an alkyne linker. Incorporation of the alkyne linker enhanced π‐electron delocalization, facilitating more efficient hole transfer, and strengthened interfacial bonding, thereby improving device stability. As a result, the perovskite solar cells achieved an impressive PCE of
Ziyang Xia, Haoxin Wang, Seongmin Han, Bin Cai, Cheng Chen, Yaosen Wang, Shutong Duan, Ming Cheng, Sang Il Seok   +8 more
wiley   +1 more source