A “two‐in‐one” design strategy integrating guanidinium and carboxyl functional groups was developed to overcome the intrinsic trade‐off among SHG response, ultraviolet cutoff edge, and birefringence in DUV NLO crystals. Benefiting from non‐π‐conjugated electronic isolation, Zn‐GPA(II) simultaneously achieves a strong SHG response (2.1 × KH2PO4), an ...
Xiliang Jiang +8 more
wiley +1 more source
Polyhalogenated 2,1,3-Benzochalcogenadiazoles: A Small-Molecule Platform for Multicentered Spin-Orbit Coupling Affecting Optical Properties (Chalcogens = S, Se, Te; Halogens = F, Cl, Br, I). [PDF]
Radiush EA +6 more
europepmc +1 more source
Ligand Redox Noninnocence in Bis(phosphinimine) Diarylamido Pincer Complexes of Nickel
The oxidative noninnocence of a bis(phosphinimine) ligand featuring a diarylamido backbone was investigated for several nickel complexes. Radical/charge delocalization across the aromatic backbone plays an important role in the stabilization of the diarylaminyl and putative diarylnitrenium complexes.
Xiujing Xing +8 more
wiley +1 more source
Concise synthesis of simplified aogacillin analogs reveals innate reactivity and synergy with aminoglycosides. [PDF]
LeBlanc AR +4 more
europepmc +1 more source
In this article, a series of zwitterionic scorpionate ligands based on the anionic tris‐(pyrazolyl)borate ligand scaffold is presented. These ligands are used to prepare bis‐chelates with divalent manganese ions. The resulting complexes are studied via magnetic, crystallographic, and electrochemical means to characterize the charge–transfer‐induced ...
Matthew C. Kessinger +5 more
wiley +1 more source
lmp2gro: A Python Tool for Converting LAMMPS Data Files into GROMACS Topologies. [PDF]
Moni Pereira A +3 more
europepmc +1 more source
Resolution Approaches Toward Enantiopure Planar Chiral 7‐bromo‐4‐hydroxy [2.2]paracyclophane
This work describes access to both enantiomers of planar chiral 7‐bromo‐4‐hydroxy [2.2]paracyclophane through direct resolution of the racemate using an L‐isoleucine‐derived chiral auxiliary or through resolution of 4‐hydroxy [2.2]paracyclophane, followed by regioselective bromination.
Arthur Le Coz +5 more
wiley +1 more source
DBU/H<sub>2</sub>O: a probing medium for diastereoselective Diels-Alder reactions of (arylvinyl)cyclohex-2-en-1-one dienes with a symmetrical <i>trans</i> dienophile. [PDF]
Abaee MS, Shabani Z, Mojtahedi MM.
europepmc +1 more source
Modular Synthesis of Di‐ and Triazadibenzoazulenes by a Cross‐Coupling/Cycloisomerization Strategy
Two series of regioisomeric di‐ and triazadibenzoazulenes were prepared from dihalogenated imidazo[1,2‐a]pyridines and imidazo[1,2‐a]pyrazines. Imidazo[1,2‐a]pyridines and imidazo[1,2‐a]pyrazines are important nitrogen‐containing heterocycles with applications in medicinal and materials chemistry.
Karyna Kulyk +6 more
wiley +1 more source
Correction to "Colossal Anisotropic Thermal Expansion Through Coupling Spin Crossover and Rhombus Deformation in a Hexanuclear {Fe<sup>III</sup> <sub>4</sub>Fe<sup>II</sup> <sub>2</sub>} Compound". [PDF]
europepmc +1 more source

