Results 31 to 40 of about 4,190 (143)
Advanced Science, EarlyView.Increasing nanocurvature effectively enriches the local electron density of the M–N4 motif, which facilitates electron transfer from the metal center to nitrogen atoms. This electronic behavior intensifies the localization and asymmetric distribution of charge, thereby significantly amplifying the dipole moment and polarizability.
Daohu Sheng +7 more
wiley +1 more source
Advanced Science, EarlyView.This work reports a strategy of engineering charge‐assisted hydrogen bonds to tailor charge transfer channels in HOFs, significantly improving their performance in photocatalytic H2O2 production. ABSTRACT The production of H2O2 via artificial photosynthesis is often limited by inefficient charge‐carrier separation, causing significant charge ...
Yajun Zhao +7 more
wiley +1 more source
Structural, Spectroscopic and Hirshfeld Surface Analysis of Anilinium Malonate
Asian Journal of Chemistry, 2019 The comprehensive elucidation of the crystal structure, vibrational and Hirshfeld surface analysis of new crystalline product anilinium malonate C6H5NH3 +. C3H3O4 – are presented in this communication. Single crystals of anilinium malonate have been grown by the method of slow evaporation at room temperature.
F. Mary Anjalin +3 more
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Advanced Science, EarlyView.Five‐coordinate, square‐pyramidal Fe(II) complexes adopting polar, non‐centrosymmetric crystal structures exhibit exceptionally large easy‐axis magnetic anisotropy. Ligand‐driven distortions critically control the anisotropy, and the dielectric, Polarization vs Elecric field and piezo response studies confirm intrinsic polarization, positioning these ...
Vijaya Thangaraj +6 more
wiley +1 more source
Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2019 Five new crystal structures of perfluoropyridine substituted in the 4-position with phenoxy, 4-bromophenoxy, naphthalen-2-yloxy, 6-bromonaphthalen-2-yloxy, and 4,4′-biphenoxy are reported, viz. 2,3,5,6-tetrafluoro-4-phenoxypyridine, C11H5F4NO (I), 4-(4-bromophenoxy)-2,3,5,6-tetrafluoropyridine, C11H4BrF4NO (II), 2,3,5,6-tetrafluoro-4-[(naphthalen-2-yl ...
Andrew J. Peloquin +4 more
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Advanced Science, EarlyView.The fundamental nature of anion storage in p‐type organic cathodes is elucidated using rigid poly(arylamine) frameworks. This study reveals a hybrid covalent‐ionic mechanism for anion‐π+ interactions, driven by synergistic orbital hybridization and electrostatic attraction.
Tiantian She +7 more
wiley +1 more source
Hirshfeld surface analysis and crystal structure of N-(2-methoxyphenyl)acetamide [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2019 The title compound, C9H11NO2, was obtained as unexpected product from the reaction of (4-{2-benzyloxy-5-[(E)-(3-chloro-4-methylphenyl)diazenyl]benzylidene}-2-phenyloxazol-5(4H)-one) with 2-methoxyaniline in the presence of acetic acid as solvent. The amide group is not coplanar with the benzene ring, as shown by the C—N—C—O and C—N—C—C torsion angles ...
Mavise Yaman +5 more
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Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide
Acta Crystallographica Section E Crystallographic CommunicationsCarboxyhydrazides are widely used in medicinal chemistry because of their medicinal properties and many drugs have been developed containing this functional group. A suitable intermediate to obtain potential hydrazide drug candidates is the title compound 5-hydroxypentanehydrazide, C5H12N2O2 (1).
Guilherme Augusto Justen +6 more
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Crystal structure and Hirshfeld surface analysis of novel pyrazole derivatives [PDF]
Acta Crystallographica Section A Foundations and Advances, 2017 New pyrozole derivatives, 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide (I) and 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (II) are synthesized. These compounds were characterized using elemental analyses, ¹H NMR, ¹³C NMR and mass spectral studies ...
Karthik Kumara +2 more
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Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf
Acta Crystallographica Section E Crystallographic CommunicationsIn the title compound, (2-methylidene-1,2-dihydropyridinium-κN)tris(tetrahydrofuran-κO)lithium, [Li(C6H6N)(C4H8O)3], the lithium ion adopts a distorted LiNO3 tetrahedral coordination geometry and the 2-picolyl anion adopts its enamido form with the lithium ion lying close to the plane of the pyridine ring. A methylene group of one of the thf ligands is
Tristan Mairath +2 more
openaire +3 more sources