The mol-ecule of the title compound, C(18)H(16)N(2)O(4), adopts a T-shaped conformation with E stereochemistry for the imine double bond. The (3-nitro-benzyl-idene)amino fragment is almost planar, the mean planes of phenyl ring and nitro group forming a dihedral angle of 8.9 (3)°. In the 3-phenyl-acryloyl unit, the acrylic ester fragment is also almost planar, with the phenyl ring twisted by 41.44 (7)°. In the crystal, the mol-ecules are linked by C-H⋯O hydrogen-bond inter-actions into chains running parallel to [01].
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http://dx.doi.org/10.1107/S1600536808043262 | DOI Listing |
Chemistry
December 2024
Departamento de Química Orgánica, Facultad de Química, Universidad Complutense, 28040-, Madrid, Spain.
The synthesis and characterization of novel compounds (5-8) as mimetics of [FeFe]-hydrogenase, combining two distinct systems capable of participating in hydrogen evolution reactions (HER): the [(μ-adt)Fe(CO)] fragment and M-salen complexes (salen=N,N'-bis(salicylidene)ethylenediamine) (M=Zn, Ni, Fe, Mn), is reported. These complexes were synthesized in high yields via a three-step procedure from N,N'-bis(4-R-salicylidene)ethanediamine) 4 [R=Fe(CO)(μ-SCH)NCOCHO]. Structural analysis through spectroscopic, spectrometric, and computational (DFT) methods confirmed distorted tetrahedral and square-planar geometries for Zn-salen and Ni-salen complexes (5 and 6) respectively, while complexes Fe-salen 7 and Mn-salen 8 exhibit square-based pyramidal structures typical of Fe(III) and Mn(III) high-spin salen-complexes.
View Article and Find Full Text PDFPhys Chem Chem Phys
December 2024
Department of Chemical Sciences, Materials Research Center, Ariel University, 4076414 Ariel, Israel.
A common feature of molecular photoswitches is the selectivity of their photo-processes. The photoswitching model must combine a selective photochemical direct route and a thermal reverse reaction from the product back to the parent reactant. The conical intersection model is an appropriate approach to this problem.
View Article and Find Full Text PDFInorg Chem
December 2024
Graduate School of Engineering, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522, Japan.
Highly modified LaO-YO-BO ternary glasses were fabricated by using a levitation technique. The thermal and structural properties of (50 - )LaO-YO-50BO glasses and (60 - )LaO-YO-40BO glasses were investigated. Raman scattering spectra indicated that B atoms mainly formed isolated planar BO triangles similar to those of crystalline LaBO.
View Article and Find Full Text PDFMethyl is crucial in plasma-assisted hydrocarbon chemistry, making precise in situ imaging essential for understanding various plasma applications. Its importance in methane chemistry arises from its role as a primary byproduct during the initial phase of methane dehydrogenation. Detecting the CH radical is challenging due to its high reactivity and the prevalence of strongly pre-dissociative electronically excited states.
View Article and Find Full Text PDFNat Commun
November 2024
Department of Physics, Durham University, South Road, Durham, DH1 3LE, UK.
Intramolecular charge transfer (ICT) occurs when photoexcitation causes electron transfer from an electron donor to an electron acceptor within the same molecule and is usually stabilized by decoupling of the donor and acceptor through an orthogonal twist between them. Thermally activated delayed fluorescence (TADF) exploits such twisted ICT states to harvest triplet excitons in OLEDs. However, the highly twisted conformation of TADF molecules results in limited device lifetimes.
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