Crystal-packing modes determine the solid-state ESIPT fluorescence in highly dipolar 2′-hydroxychalcones

2021 ◽  
Author(s):  
Alix Tordo ◽  
Erwann Jeanneau ◽  
Mathieu Bordy ◽  
Yann Bretonnière ◽  
Jens Hasserodt
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Crystal Packing ◽  
Xrd Analysis ◽  
Quantum Yields ◽  
Single Crystal Xrd ◽  
Structure Property ◽  
Crystal State ◽  
Structure Property Relationship ◽  
Single Crystal Xrd Analysis

Fifteen easily assembled ESIPT-active 2′-hydroxychalcones were prepared to identify deep-red crystal-state fluorophores with increased quantum yields. Systematic single-crystal XRD analysis furnished trends in the structure–property relationship.

scholarly journals Oligosilanylated Silocanes

Molecules ◽  
2021 ◽  
Vol 26 (1) ◽  
pp. 244
Author(s):  
Mohammad Aghazadeh Meshgi ◽  
Alexander Pöcheim ◽  
Judith Baumgartner ◽  
Viatcheslav V. Jouikov ◽  
Christoph Marschner
Keyword(s):  
Cyclic Voltammetry ◽  
Solid State ◽  
Xrd Analysis ◽  
29Si Nmr ◽  
Single Crystal Xrd ◽  
Substitution Pattern ◽  
Silyl Group ◽  
Steric Factors ◽  
Single Crystal Xrd Analysis ◽  
29Si Nmr Spectroscopy

A number of mono- and dioligosilanylated silocanes were prepared. Compounds included silocanes with 1-methyl-1-tris(trimethylsilyl)silyl, 1,1-bis[tris(trimethylsilyl)silyl], and 1,1-bis[tris(trimethylsilyl)germyl] substitution pattern as well as two examples where the silocane silicon atom is part of a cyclosilane or oxacyclosilane ring. The mono-tris(trimethylsilyl)silylated compound could be converted to the respective silocanylbis(trimethylsilyl)silanides by reaction with KOtBu and in similar reactions the cyclosilanes were transformed to oligosilane-1,3-diides. However, the reaction of the 1,1-bis[tris(trimethylsilyl)silylated] silocane with two equivalents of KOtBu leads to the replacement of one tris(trimethylsilyl)silyl unit with a tert-butoxy substituent followed by silanide formation via KOtBu attack at one of the SiMe3 units of remaining tris(trimethylsilyl)silyl group. For none of the silylated silocanes, signs of hypercoordinative interaction between the nitrogen and silicon silocane atoms were detected either in the solid state. by single crystal XRD analysis, nor in solution by 29Si-NMR spectroscopy. This was further confirmed by cyclic voltammetry and a DFT study, which demonstrated that the N-Si distance in silocanes is not only dependent on the energy of a potential N-Si interaction, but also on steric factors and through-space interactions of the neighboring groups at Si and N, imposing the orientation of the pz(N) orbital relative to the N-Si-X axis.

ONO pincer type Pd(ii) complexes: synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds

RSC Advances ◽  
2015 ◽  
Vol 5 (95) ◽  
pp. 77948-77957 ◽  
Author(s):  
Vignesh Arumugam ◽  
Werner Kaminsky ◽  
Dharmaraj Nallasamy
Keyword(s):  
Crystal Structure ◽  
Catalytic Activity ◽  
Single Crystal ◽  
Bond Formation ◽  
Xrd Analysis ◽  
Single Crystal Xrd ◽  
Hydrazone Ligands ◽  
Single Crystal Xrd Analysis

Four new palladium(ii) complexes featuring ONO pincer type hydrazone ligands were synthesized and characterized by spectroscopic and single-crystal XRD analysis. Utility of these complexes to catalyze C–C bond formation in quinoline scaffolds were assessed.

scholarly journals Synthesis of Functionalized 9-Substituted Fluorene Derivatives via Boron Trifluoride Catalysed Reaction of Coplanar 9-(Phenylethynyl)-9H-fluoren-9-ols, Aryl Aminoamides and N-Bromosuccinimide

SynOpen ◽  
2021 ◽  
Vol 05 (01) ◽  
pp. 17-24
Author(s):  
Ponnusamy Shanmugam ◽  
Mohanakumaran Athira
Keyword(s):  
Single Crystal ◽  
Boron Trifluoride ◽  
Xrd Analysis ◽  
Single Crystal Xrd ◽  
Excellent Yield ◽  
Catalysed Reaction ◽  
Plausible Mechanism ◽  
Single Crystal Xrd Analysis

AbstractA boron trifluoride catalysed reaction of coplanar 9-(phenyl­ethynyl)-9H-fluoren-9-ols with various 2-aminobenzamides affords a number of highly functionalized, conjugated (Z)-2-((2-(9H-fluoren-9-ylidene)-1-phenylethylidene)amino) benzamides in excellent yield. The reaction in the presence of N-bromosuccinimide affords (E)-5-bromo-2-((2-bromo-2-(9H-fluoren-9-ylidene)-1-phenylethylidene)amino)benz­amides in very good yields. The scope of the reaction is demonstrated by selecting N-aryl substituted 2-aminobenzamides and aminosulfonamides as reaction partners. The structures of representative compounds were established by single-crystal XRD analysis. Based on the structure of the products, a plausible mechanism via formation of allene carbocation intermediates is proposed.

scholarly journals A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni2+ and colorimetric detection of Cu2+

2019 ◽  
Vol 18 (6) ◽  
pp. 1512-1525 ◽  
Author(s):  
Amit Kumar Manna ◽  
Kalyani Rout ◽  
Shubhamoy Chowdhury ◽  
Goutam K. Patra
Keyword(s):  
Schiff Base ◽  
Single Crystal ◽  
Colorimetric Detection ◽  
Xrd Analysis ◽  
Single Crystal Xrd ◽  
Dual Mode ◽  
Single Crystal Xrd Analysis

In this paper, a novel flexible Schiff base chemosensor L has been designed, synthesised and characterised by single crystal XRD analysis and exploited as fluorescent colorimetric detection of Ni2+ and colorimetric detection of Cu2+.

Synthesis and Transformation of 5-Acetyl-2-aryl-6-hydroxybenzofurans into Furanoflavanone Derivatives

Synthesis ◽  
2019 ◽  
Vol 51 (18) ◽  
pp. 3431-3442 ◽  
Author(s):  
Malose J. Mphahlele ◽  
Temitope O. Olomola
Keyword(s):  
Single Crystal ◽  
Aldol Condensation ◽  
Cross Coupling ◽  
Xrd Analysis ◽  
Single Crystal Xrd ◽  
Palladium Catalyzed ◽  
Benzaldehyde Derivatives ◽  
Single Crystal Xrd Analysis

Tandem palladium-catalyzed Sonogashira cross-coupling and heteroannulation of 3-bromo-2,4-dihydroxy-5-iodoacetophenone with arylacetylenes followed by the base-mediated Claisen–Schmidt aldol condensation of the intermediate 5-acetyl-2-aryl-7-bromo-6-hydroxybenzofurans with benzaldehyde derivatives afforded the corresponding linear 2-arylbenzofuranchalcone hybrids. The presence of the o-hydroxy-trans-α,β-unsaturated carbonyl moiety in the prepared furanochalcone hybrids facilitated acid-mediated cycloisomerization into the corresponding linear furanoflavanones. The structures of the prepared compounds were confirmed using a combination of spectrometric techniques complemented with single crystal XRD analysis.

scholarly journals Tripodal Oxazolidine-N-Oxyl Diradical Complexes of Dy3+ and Eu3+

Inorganics ◽  
2021 ◽  
Vol 9 (12) ◽  
pp. 91
Author(s):  
Philippe Rey ◽  
Andrea Caneschi ◽  
Taisiya S. Sukhikh ◽  
Kira E. Vostrikova
Keyword(s):  
Single Crystal ◽  
Coordination Sphere ◽  
Magnetic Measurements ◽  
Central Atom ◽  
Xrd Analysis ◽  
Point Symmetry ◽  
Single Crystal Xrd ◽  
Nitroxide Group ◽  
Single Crystal Xrd Analysis

Two diradical complexes of the formula [LnRad2(CF3SO3)3] c (Ln(III) = Dy, Eu, Rad = 4,4-dimethyl-2,2-bis(pyridin-2-yl)-1,3-oxazolidine-3-oxyl) were obtained in air conditions. These are the first examples of diradical compounds of lanthanides and oxazolidine nitroxide. The complexes were characterized crystallographically and magnetically. Single crystal XRD analysis revealed that their coordination sphere is composed of three monodentate triflates and two tripodal Rad, which coordinate the central atom in a tridentate manner via two N atoms of the pyridine groups and the O atom of a nitroxide group. The LnO5N4 polyhedron represents a spherical capped square antiprism with point symmetry close to C4v. The data of static magnetic measurements are compatible with the presence of two paramagnetic ligands in the coordination sphere of the metal.

Hydroxylian pseudorutile in an adamellite from the Nkambe area, Cameroon

2003 ◽  
Vol 67 (3) ◽  
pp. 509-516 ◽  
Author(s):  
S. Tetsopgang ◽  
J. Koyanagi ◽  
M. Enami ◽  
K. Kihara
Keyword(s):  
Solid Solution ◽  
Single Crystal ◽  
Point Group ◽  
Xrd Analysis ◽  
Lattice Parameters ◽  
Single Crystal Xrd ◽  
Hexagonal Symmetry ◽  
Ft Ir ◽  
End Members ◽  
Single Crystal Xrd Analysis

AbstractHydroxylian pseudorutile in an adamellite from Cameroon has been identified using EPMA, FT-IR and single-crystal XRD analysis. TiO2 and Fe2O3 contents range between 60.6 and 67.9 wt.% and 22.2 and 36.5 wt.%, respectively, and totals vary from 90.1 to 98.1 wt.%. The SiO2 (0.03 —1.40 wt.%), Al2O3 (0.02—0.68 wt.%) and CaO (0.03—0.44 wt.%) contents increase systematically and MnO (0.04—0.69 wt.%) decreases slightly with decreasing Fe3+/Ti values. The MgO content is <0.06 wt.%. H2O contents (1.3—7.5 wt.%) are greater in parts of crystals with lower Fe3+/Ti, suggesting solid solution between the end-members Fe3+2Ti3O9 and Fe3+Ti3O6(OH)3. The lattice parameters are a = 2.85 Å and c = 4.57 Å with hexagonal symmetry and point group 6/mmm.

Th@D5h(6)-C80: highly symmetric fullerene cage stabilized by a single metal ion

2021 ◽  
Author(s):  
Ning Chen ◽  
Yingjing Yan ◽  
Roser Morales-Martínez ◽  
Jiaxin Zhuang ◽  
Yang-Rong Yao ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Raman Spectroscopy ◽  
Single Crystal ◽  
Metal Ion ◽  
Xrd Analysis ◽  
Fullerene Cage ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
X Ray ◽  
Single Crystal Xrd Analysis

A novel endohedral metallofullerene (mono-EMF), Th@D5h(6)-C80, has been successfully synthesized and fully characterized by mass spectrometry, single crystal X-ray diffraction, UV-vis-NIR, Raman spectroscopy and cyclic voltammetry. Single crystal XRD analysis...

Single-crystal XRD and solid-state NMR structural resolution of a layered fluorinated gallium phosphate: RbGa3(PO4)2(HPO4)F4·C5N2H16·2H2O (MIL-145)

2013 ◽  
Vol 42 (2) ◽  
pp. 422-431 ◽  
Author(s):  
Charlotte Martineau ◽  
Thierry Loiseau ◽  
Lionel Beitone ◽  
Gérard Férey ◽  
Boris Bouchevreau ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Solid State Nmr ◽  
Single Crystal Xrd ◽  
Gallium Phosphate
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