scholarly journals The Role of Percent Volume Buried in the Characterization of Copper(I) Complexes for Lighting Purposes

Molecules ◽  
2020 ◽  
Vol 25 (11) ◽  
pp. 2647 ◽  
Author(s):  
Murat Alkan-Zambada ◽  
Edwin C. Constable ◽  
Catherine E. Housecroft
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Quantum Yields ◽  
X Ray ◽  
Photophysical Behavior

The usefulness of percent volume buried (%Vbur) as a readily quantifiable property is investigated with regard to [Cu(NN)(PP)]+ complexes of interest for lighting purposes. Photoluminescence quantum yields (PLQYs) and single crystal X-ray structures of 100 reported compounds were assembled, %Vbur of the ligand systems were calculated and analyzed for correlations. We found that increased shielding of the central Cu(I) cation relying on shared contributions of both (NN) and (PP) ligand systems led to increased PLQYs. These findings are of relevance for future characterizations of Cu(I)-based complexes and their photophysical behavior in the solid-state.

Synthesis and structural characterization of a magnesium phthalocyanine(3–) anion

2012 ◽  
Vol 16 (01) ◽  
pp. 154-162 ◽  
Author(s):  
Edwin W.Y. Wong ◽  
Daniel B. Leznoff
Keyword(s):  
Absorption Spectrum ◽  
Solid State ◽  
Single Crystal ◽  
Structural Characterization ◽  
Heterometallic Complex ◽  
State Structure ◽  
Solid State Structure ◽  
X Ray ◽  
X Ray Crystallography

The reduction of magnesium phthalocyanine (MgPc) with 2.2 equivalents of potassium graphite in 1,2-dimethoxyethane (DME) gives [K2(DME)4]PcMg(OH)(1) in 67% yield. Compound 1 was structurally characterized using single crystal X-ray crystallography and was found to be a monomeric, heterometallic complex consisting of a μ3-OH ligand that bridges a [MgIIPc3-]- anion to two potassium cations solvated by four DME molecules. An absorption spectrum of 1 confirms the Pc ligand is singly reduced and has a 3–charge. The solid-state structure of 1 does not indicate breaking of the aromaticity of the Pc ligand. Compound 1 is only the second Pc3- complex and the first reduced MgPc to be isolated and structurally characterized.

scholarly journals Bleaching the Record: After 200 Years, Single Crystal X-Ray Crystallography Reveals the Structure and Hydrogen-Bonding Properties of Hypochlorite and Hypobromite Ions in the Solid State

2021 ◽  
Author(s):  
Filip Topic ◽  
Joseph Marrett ◽  
Tristan Borchers ◽  
Hatem M. Titi ◽  
Christopher J. Barrett ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Gas Phase ◽  
X Ray ◽  
X Ray Crystallography ◽  
Single Crystal Structures ◽  
Hypohalous Acids ◽  
Bonding Properties ◽  
Insight Into

<div>We report the first single crystal structures of hypochlorite and hypobromite salts, including hydrated sodium hypochlorite - a ubiquitous bleaching and disinfection agent in use for almost 200 years. The structures represent the first characterization of fundamentally important hypochlorite and hypobromite anions in the solid state, by X-ray crystallography and are supported by Raman spectroscopy on individual crystals. The structural analysis provides insight into supramolecular chemistry of the hypohalite ions in the hydrated environment of the NaOCl<sup>.</sup>5H<sub>2</sub>O and NaOBr<sup>.</sup>5H<sub>2</sub>O solid salts, and reveals measured Cl-O and Br-O bond lengths of 1.69 A and 1.82 A, respectively, which are significantly longer than those for corresponding higher-valence oxoanions, and in agreement with the values spectroscopically determined for hypohalous acids and corresponding oxides in the gas phase.<br></div>

scholarly journals Selenophene-containing heterotriacenes by a C–Se coupling/cyclization reaction

2019 ◽  
Vol 15 ◽  
pp. 1379-1393
Author(s):  
Pierre-Olivier Schwartz ◽  
Sebastian Förtsch ◽  
Astrid Vogt ◽  
Elena Mena-Osteritz ◽  
Peter Bäuerle
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Structure Property ◽  
Cyclization Reactions ◽  
X Ray ◽  
Structure Property Relationships ◽  
New Novel ◽  
Synthetic Routes ◽  
Interesting Structure

A new novel family of tricyclic sulfur and/or selenium-containing heterotriacenes 2–4 with an increasing number of selenium (Se) atoms is presented. The heterotriacene derivatives were synthesized in multistep synthetic routes and the crucial cyclization steps to the stable and soluble fused systems were achieved by copper-catalyzed C–S and C–Se coupling/cyclization reactions. Structures and packing motifs in the solid state were elucidated by single crystal X-ray analysis and XRD powder measurements. Comparison of the optoelectronic properties provides interesting structure–property relationships and gives valuable insights into the role of heteroatoms within the series of the heterotriacenes. Electrooxidative polymerization led to the corresponding poly(heterotriacene)s P2–P4.

Synthesis and Characterization of o-Carboranylthioether Derivatives

2011 ◽  
Vol 66 (9) ◽  
pp. 947-952
Author(s):  
Meiling Xu ◽  
Yong Nie ◽  
Jinling Miao ◽  
Zhenwei Zhang ◽  
Bin Peng ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Solid State ◽  
Single Crystal ◽  
Uv Light ◽  
Chloroform Solution ◽  
Alkyl Halides ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray

The reactions of the dithiolato-o-carborane salt (Et3NH)2(S2C2B10H10) (2) with alkyl halides BrCH2CH=CH2, BrCH2CH2CH2Cl and C6H5CH2Cl, afford the o-carboranyl-bisthioether derivatives 3a - c, which have been characterized by IR and NMR (1H, 13C, 11B) spectroscopy, mass spectrometry, and single-crystal X-ray diffraction (3c). The photoluminescent properties of the known compound 3c has been investigated. It exhibits a violet (chloroform solution) or blue (solid state) emission when excited with UV light.

Synthesis and characterization of (η5-C5Me5)W(NO)I2, a monomeric, formally 16-electron complex

1988 ◽  
Vol 66 (8) ◽  
pp. 2100-2103 ◽  
Author(s):  
Neil H. Dryden ◽  
Peter Legzdins ◽  
Frederick W. B. Einstein ◽  
Richard H. Jones
Keyword(s):  
Molecular Structure ◽  
Molecular Weight ◽  
Solid State ◽  
Single Crystal ◽  
Significant Degree ◽  
Crystallographic Analysis ◽  
Synthesis And Characterization ◽  
X Ray ◽  
Degree Of Association

The compound (η5-C5Me5)W(NO)I2 has been prepared by treating (η5-C5Me5)W(NO)(CO)2 with I2. A single crystal X-ray crystallographic analysis establishes that the formally 16-electron complex possesses a monomeric, three-legged piano stool molecular structure in the solid state. Solution molecular weight measurements also indicate no significant degree of association of the compound.

The Reaction of Cp*ReH6, Cp* = C5Me5, with Monoborane to Yield a Novel Rhenaborane. Synthesis and Characterization of arachno-Cp*ReH3B3H8

2002 ◽  
Vol 67 (6) ◽  
pp. 808-812 ◽  
Author(s):  
Sundargopal Ghosh ◽  
Alicia M. Beatty ◽  
Thomas P. Fehlner
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Diffraction Study ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray

The rhenaborane Cp*ReH3B3H8, which is generated by the reaction of Cp*ReH6 with BH3·THF, has been characterized spectroscopically in solution and by a single-crystal X-ray diffraction study in the solid state as a hydrogen-rich arachno-metallatetraborane.

Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions

CrystEngComm ◽  
2014 ◽  
Vol 16 (38) ◽  
pp. 9043-9053 ◽  
Author(s):  
Francisca Orvay ◽  
Antonio Bauzá ◽  
Miquel Barceló-Oliver ◽  
Angel García-Raso ◽  
Joan J. Fiol ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
New Compounds

Five new compounds have been synthesized and characterized by elemental analysis, IR, NMR and single-crystal X-ray diffraction. They present interesting assemblies in the solid state dominated by H-bonding and anion–π interactions.

scholarly journals Conformational distortions of π-cation radical (β-oxoporphyrin)copper(II) derivatives: [Cu(2,7,12-trioxoOEHP·)][SbCl6] and [Cu(2,7-dioxoOEiBC·)][SbCl6]

2011 ◽  
Vol 15 (05n06) ◽  
pp. 373-381 ◽  
Author(s):  
Ilona Turowska-Tyrk ◽  
Seong-Joo Kang ◽  
W. Robert Scheidt
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Cation Radical ◽  
X Ray ◽  
Near Ir ◽  
Derivatives Of

The preparation and characterization of two π-cation radical derivatives of copper β-oxoporphyrins is described. [3,3,8,8,13,13,17,18-octaethyl-(3H,8H,13H)-porphine-2,7,12-trionato (2-)] copper π-cation radical, [ Cu (2,7,12-trioxoOEHP·)]+, and [3,3,8,8,12,13,17,18-octaethyl-(3H,8H)-porphine-2,7-dionato(2-)] copper π-cation radical, [ Cu (2,7-dioxoOEiBC·)]+, have been prepared and characterized by single-crystal X-ray determinations, UV/vis/NIR, and IR spectroscopies. Both molecules have modest distortion from the planarity and show monomeric units in the solid state. [ Cu (2,7-dioxoOEiBC·)]+ shows a concentration dependent near-IR band at 1410 nm.

scholarly journals Bleaching the Record: After 200 Years, Single Crystal X-Ray Crystallography Reveals the Structure and Hydrogen-Bonding Properties of Hypochlorite and Hypobromite Ions in the Solid State

2021 ◽  
Author(s):  
Filip Topic ◽  
Joseph Marrett ◽  
Tristan Borchers ◽  
Hatem M. Titi ◽  
Christopher J. Barrett ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Gas Phase ◽  
X Ray ◽  
X Ray Crystallography ◽  
Single Crystal Structures ◽  
Hypohalous Acids ◽  
Bonding Properties ◽  
Insight Into

<div>We report the first single crystal structures of hypochlorite and hypobromite salts, including hydrated sodium hypochlorite - a ubiquitous bleaching and disinfection agent in use for almost 200 years. The structures represent the first characterization of fundamentally important hypochlorite and hypobromite anions in the solid state, by X-ray crystallography and are supported by Raman spectroscopy on individual crystals. The structural analysis provides insight into supramolecular chemistry of the hypohalite ions in the hydrated environment of the NaOCl<sup>.</sup>5H<sub>2</sub>O and NaOBr<sup>.</sup>5H<sub>2</sub>O solid salts, and reveals measured Cl-O and Br-O bond lengths of 1.69 A and 1.82 A, respectively, which are significantly longer than those for corresponding higher-valence oxoanions, and in agreement with the values spectroscopically determined for hypohalous acids and corresponding oxides in the gas phase.<br></div>

scholarly journals Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands

Inorganics ◽  
2020 ◽  
Vol 8 (1) ◽  
pp. 4 ◽  
Author(s):  
Isaak Nohara ◽  
Aramis Keller ◽  
Nikolai Tarassenko ◽  
Alessandro Prescimone ◽  
Edwin C. Constable ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Excited State ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Quantum Yields ◽  
Excited State Lifetime ◽  
X Ray ◽  
Multinuclear Nmr Spectroscopy ◽  
Phenanthroline Ligands

A series of [Cu(P^P)(N^N)][PF6] compounds are reported in which N^N is 2,9-dibromo-1,10-phenanthroline (2,9-Br2phen), 3,8-dibromo-1,10-phenanthroline (3,8-Br2phen) or 4,7-dibromo-1,10-phenanthroline (4,7-Br2phen) and P^P is bis(2-(diphenylphosphano)phenyl)ether (POP) or 4,5-bis(diphenylphosphano)-9,9-dimethylxanthene (xantphos). The compounds were characterized by solution multinuclear NMR spectroscopy, mass spectrometry and a single-crystal X-ray analysis. Each compound underwent a partially reversible or irreversible copper-centred oxidation, the highest potential being for 2,9-Br2phen-containing compounds. In solution, the compounds are weak yellow or orange emitters, whereas powdered samples exhibit yellow emissions with photoluminescence quantum yields of up to 45% for [Cu(xantphos)(2,9-Br2phen)][PF6] with an excited state lifetime τ1/2 = 9.9 μs. Values of λemmax for [Cu(POP)(2,9-Br2phen)][PF6] and [Cu(xantphos)(2,9-Br2phen)][PF6] are blue-shifted with respect to compounds with the 3,8-and 4,7-isomers, both in solution and in the solid state.

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