Results 111 to 120 of about 6,498 (218)

Spin Crossover around Room Temperature: Effects of Remote Ligand Symmetry Breaking within Jäger‐Type Iron(II) Complexes

Zeitschrift für anorganische und allgemeine Chemie, EarlyView.
Remote symmetry breaking in Jäger‐type iron(II) complexes shifts stepwise spin crossover (SCO) profiles to continuous profiles with transition temperatures around room temperature. In a bottom‐up approach, we studied the feedback of slight molecular modifications on the spin crossover (SCO) properties of otherwise structurally conserved iron(II ...
Florian Daumann, Lucie Gottwalt, Phil Köhler, Gerald Hörner, Birgit Weber   +4 more
wiley   +1 more source

Phase‐Engineered CuS on rGO Nanoflowers Directs Selectivity From Formate to Ethanol

ChemElectroChem, Volume 13, Issue 9, 5 May 2026.
Copper sulfide nanoflowers grown on reduced graphene oxide undergo a phase transition to metastable digenite (Cu7.2S4), enabling efficient CO2 electroreduction. The optimized catalyst achieves 82% Faradaic efficiency for formate, while tuning rGO content shifts selectivity toward ethanol.
Behroz Khan, Muhammad Alim, Ayesha Tariq, Tilahun Yai Fayesa, Mathar Hamza, Amjd M. H. N. Al‐Muraisy, Bin Wang, Rashid Iqbal   +7 more
wiley   +1 more source

Crystal Structures of d-Lyxono-1,4-lactone and Its O-Tosyl Derivative

Molecules
γ- and δ-lactones were formed by bromine oxidation of commercially available D-lyxose, as confirmed by IR analysis. The former was isolated, and its structure was confirmed by NMR spectra and X-ray analysis.
Anna Sosnowska, Jarosław Chojnacki, Justyna Samaszko-Fiertek, Janusz Madaj, Barbara Dmochowska   +4 more
doaj   +1 more source

Density functional theory study of (OCS)2^-

, 2007
The structural and electronic properties of the carbonyl sulfide dimer anion are calculated using density functional theory within a pseudopotential method.
Bar-Yam, Barsotti, Bilalbegović, Casida, De Proft, Fuchs, G. Bilalbegović, Gonze, Hartwigsen, Hirshfeld, Kokalj, Leman, Makov, Martin, McKee, Nalewajski, Perdew, Runge, Sanov, Sanov, Schultz, Surber, Surber, Surber, Troullier   +24 more
core   +1 more source

Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf

Acta Crystallographica Section E Crystallographic Communications
In 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, Annika Schmidt, Carsten Strohmann   +2 more
openaire   +3 more sources

Precise Vibration Decoupling and Matrix Rigidification: A Dual Locking Strategy for Highly Efficient Photoluminescence

Aggregate, Volume 7, Issue 5, May 2026.
This work presents a dual strategy for constructing high‐efficiency photoluminescent materials. At the molecular level, vibration decoupling is suppressed through space charge transfer chromophores, boosting fluorescence. At the aggregate level, rigid polymer matrices protect and stabilize triplet excitons, enabling efficient and colorful room ...
Haowen Huang, Sanbao Wang, Huhu Wang, Hongting Fan, Shuangyu Dong, Yong Li, Muheman Li, Chunxuan Qi, Hai‐Tao Feng, Ziqiang Lei, Hengchang Ma   +10 more
wiley   +1 more source

Bis[2-(4,5-diphenyl-1H-imidazol-2-yl)-4-nitrophenolato]copper(II) dihydrate: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2019
The crystal and molecular structures of the title CuII complex, isolated as a dihydrate, [Cu(C21H14N3O3)2]·2H2O, reveals a highly distorted coordination geometry intermediate between square-planar and tetrahedral defined by an N2O2 donor set derived from
Sailesh Chettri, Dhiraj Brahman, Biswajit Sinha, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
doaj   +1 more source

Mechanochemically Driven Synthesis of Anticancer Cocrystals: A Case Study of Lenalidomide

Chemistry–Methods, Volume 6, Issue 5, May 2026.
The combination of crystal engineering and mechanochemical approaches is a powerful strategy for the rational screen and development of new solid forms of active pharmaceutical ingredients (API). New supramolecular patterns formed between an API and a coformer allow the adjustment of physicochemical properties of drugs.
Ana C. S. Carvalho, M. Teresa Duarte, Clara S. B. Gomes, Mafalda Sarraguça, Alessia Bacchi, Michele Prencipe, Job Gieling, Natalia Shemchuk, Daniel M. Baier, Koen Robeyns, Hector Polyzois, Lidia Tajber, Christos M. Chatzigiannis, Evelina Colacino, Tom Leyssens, Vânia André   +15 more
wiley   +1 more source

Contrasting the Noncovalent Interactions of Aromatic Sulfonyl Fluoride and Sulfonyl Chloride Motifs via Crystallography and Hirshfeld Surfaces. [PDF]

ChemistrySelect, 2022
Bellia S, Teodoro LI, Barbosa AJ, Zeller M, Mirjafari A, Hillesheim PC.   +5 more
europepmc   +1 more source

Synthesis, molecular structure and Hirshfeld surface analysis of (4-methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C13H12O2S2, crystallizes in the triclinic space group P\overline{1}. The molecular structure is substantially twisted, with a dihedral angle of 43.70 (2)° between the 2-(methylsulfanyl)thiophene and 4-methoxyphenyl rings.
S. Nagaraju, M. A. Sridhar, C.S. Pradeepa Kumara, M. P. Sadashiva, B. N. Lakshminarayana, N. K. Lokanath   +5 more
doaj   +1 more source