Synthesis and Physical Properties of Salphen‐Conjugated TTF‐Metal Complex [CuII(TTF‐Salphen)]2PF6
Asian Journal of Organic Chemistry, EarlyView.A paramagnetic metal complex, [Cu(TTF‐Salphen)], in which a tetrathiafulvalene (TTF) moiety is conjugated with a Salphen coordination site, was synthesized as a potential candidate for a new π‐d system. Its radical salt, [Cu(TTF‐Salphen)]2PF6, exhibits high electrical conductivity with semiconducting behavior, attributed to its columnar stacking ...
Daiki Tauchi +7 more
wiley +1 more source
Chloromethoxytrityls: Tuning the SOMO Level of Stable Luminescent Radicals
Angewandte Chemie, EarlyView.In this work, we use chlorine and methoxy groups to control the singly occupied molecular orbital level of triarylmethyl radicals within a wide range of 1.8 eV and establish structure‐properties relationships between the substituents and photophysical properties of triarylmethyl radicals. Abstract Luminescent radicals are of significant recent interest
Hannah E. Hackney +3 more
wiley +2 more sources
Synthesis of Novel Dihydropyridine‐Iminium Salts Containing a Selenazine Core
Asian Journal of Organic Chemistry, EarlyView.An efficient method to develop novel dihydropyrido[3,2‐e][1,3]selenazines iminium salts. A comparative study of the key reagent selenourea towards thiourea and urea was carried out to assess the contribution of chalcogen to the pathway. DFT (density functional theory) calculations have predicted the optimized minimum energy structure for the hybrid ...
Reinier Lemos +6 more
wiley +1 more source
The Pentafluorophenyl Cation: A Superelectrophile and Diradical
Angewandte Chemie, EarlyView.From radical to diradical cation. Photoionization (PI) of the thermally generated pentafluorophenyl radical yields the pentafluorophenyl cation in the gas phase. This cation is found to be a diradical with nearly degenerate open‐shell singlet and triplet ground states, and it is even more unstable than the parent phenyl cation by ∼40 kcal mol−1 ...
Enrique Mendez‐Vega +4 more
wiley +2 more sources
Microscopic insight into the shaping of MOFs and its impact on CO2 capture performance. [PDF]
Chem Sci, 2023 Naskar S, Fan D, Ghoufi A, Maurin G.
europepmc +1 more source
Recognizing Ion Ligand-Binding Residues by Random Forest Algorithm Based on Optimized Dihedral Angle. [PDF]
Front Bioeng Biotechnol, 2020 Liu L +5 more
europepmc +1 more source
Dihedral-angle Gaussian distribution driving protein folding [PDF]
, 2007 Pedro Hugo de Figueirêdo +3 more
openalex +1 more source
Organocatalytic Enantioselective [4 + 4] Cycloadditions of Furan Ortho‐Quinodimethanes
Angewandte Chemie, EarlyView.The first organocatalytic enantioselective [4 + 4] cycloaddition of furan ortho‐quinodimethanes is presented. The reaction proceeds in good yields and with high enantioselectivities allowing for the formation of novel classes of cyclooctanoids. DFT calculations point to an intriguing mechanism, where the stereochemical outcome is attributed to ...
Niklas Lawaetz Østergaard +6 more
wiley +2 more sources
A novel high-dimensional NMR experiment for resolving protein backbone dihedral angle ambiguities. [PDF]
J Biomol NMR, 2020 Kauffmann C +4 more
europepmc +1 more source
Measuring the dihedral angle of water at a grain boundary in ice by an optical diffraction method
, 1991 M. E. R. Walford, J. F. Nye
openalex +1 more source