scholarly journals Bis(4-methylpiperidine-1-carbodithioato)-lead(II) and Bis(4-benzylpiperidine-1-carbodithioato)-lead(II) as Precursors for Lead Sulphide Nano Photocatalysts for the Degradation of Rhodamine B

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7251
Author(s):  
Thandi B. Mbuyazi ◽  
Peter A. Ajibade
Keyword(s):  
Single Crystal ◽  
Rhodamine B ◽  
Molecular Structures ◽  
Trioctylphosphine Oxide ◽  
Spectroscopic Techniques ◽  
Lead Sulphide ◽  
Tetrahedral Geometry ◽  
Pbs Nanoparticles ◽  
X Ray ◽  
Photodegradation Efficiency

Bis(4-methylpiperidine-1-carbodithioato)-lead(II) and bis(4-benzylpiperidine-1-carbodithioato)-lead(II) were prepared and their molecular structures elucidated using single crystal X-ray crystallography and spectroscopic techniques. The compounds were used as precursors for the preparation of lead sulphide nano photocatalysts for the degradation of rhodamine B. The single crystal structures of the lead(II) dithiocarbamate complexes show mononuclear lead(II) compounds in which each lead(II) ion coordinates two dithiocarbamato anions in a distorted tetrahedral geometry. The compounds were thermolyzed at 180 ℃ in hexadecylamine (HDA), octadecylamine (ODA), and trioctylphosphine oxide (TOPO) to prepare HDA, ODA, and TOPO capped lead sulphide (PbS) nanoparticles. Powder X-ray diffraction (pXRD) patterns of the lead sulphide nanoparticles were indexed to the rock cubic salt crystalline phase of lead sulphide. The lead sulphide nanoparticles were used as photocatalysts for the degradation of rhodamine B with ODA-PbS1 achieving photodegradation efficiency of 45.28% after 360 min. The photostability and reusability studies of the as-prepared PbS nanoparticles were studied in four consecutive cycles, showing that the percentage degradation efficiency decreased slightly by about 0.51–1.93%. The results show that the as-prepared PbS nanoparticles are relatively photostable with a slight loss of photodegradation activities as the reusability cycles progress.

The stereochemistry of Bis(α,α'-diimine)copper(I) complexes: the crystal and molecular structures of Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) bromide hydrate, Bis(4,4',6,6'-tetramethyl-2,2'-bipyridine)copper(I) chloride dihydrate, and Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) nitrate dihydrate (a redetermination)

1984 ◽  
Vol 37 (3) ◽  
pp. 649 ◽  
Author(s):  
JF Dobson ◽  
BE Green ◽  
PC Healy ◽  
CHL Kennard ◽  
C Pakawatchai ◽  
...  
Keyword(s):  
Single Crystal ◽  
Molecular Structures ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Chloride Dihydrate ◽  
Crystal And Molecular Structures ◽  
Considerable Distortion ◽  
Axial System

The crystal structures of the title compounds have been determined by single-crystal X-ray diffraction methods at 295 K, and refined by least-squares methods. Crystal data for [Cu(Cl4H12N2)2] Br.H2O (1) are: monoclinic, P21/c, a 14.067(4), b 17.687(6), c 10.337(5) �, β 91.04(3)�, with R 0.038, R' 0.040 for 1855 'observed' reflections. Crystal data for [Cu(Cu14H12N2)2] C1.2H2O (2) are: triclinic, P1, a 15.305(2), b 13.164(2), c 7.344(3) �, α 83.03(3), β 93.83(3), γ 108. 11260(3)�, with R 0.051, R' 0.053 for 1293 'observed' reflections. Crystal data for [Cu(Cl4H12N2)2] Br.H2O (3) are: triclinic, P1, a 7.619(2), b 11.967(3), c 15.534(3) �, α 71.26(1), β 82.13(1), γ 86.86(2)�, with R 0.043, R' 0.052 for 2335 'observed' reflections. The anionic and solvent species are uncoordinated in all three compounds. Cu-N bond lengths range from 2.027(5) to 2.053(5) �. The copper(1) environment (CuN4) in each complex shows considerable distortion from tetrahedral geometry. N-Cu-N intraligand angles range from 81.0(2) to 83.0(2)�, while N-Cu-N interligand angles range from 114.7(2) to 135.2(2)�. The variation in interligand angles can be described in terms of three independent rotations of ligand 2 about an orthogonal axial system defined by ligand 1.

scholarly journals Synthesis and Characterisation of Nickel(II) Diphenylalkenylphosphine Complexes

1999 ◽  
Vol 23 (7) ◽  
pp. 418-419
Author(s):  
Simon J. Coles ◽  
Paul Faulds ◽  
Michael B. Hursthouse ◽  
David G. Kelly ◽  
Georgia C. Ranger ◽  
...  
Keyword(s):  
Single Crystal ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Phosphine Complexes

Nickel(II) phosphine complexes are prepared with a series of diphenylalkenylphosphine ligands and characterised by single crystal X-ray diffraction and spectroscopic techniques.

scholarly journals Growth of sillenite Bi12FeO20 single crystals: structural, thermal, optical, photocatalytic features and first principle calculations

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Durga Sankar Vavilapalli ◽  
Ambrose A. Melvin ◽  
F. Bellarmine ◽  
Ramanjaneyulu Mannam ◽  
Srihari Velaga ◽  
...  
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Photoelectron Spectroscopy ◽  
Diffraction Method ◽  
Lattice Parameter ◽  
First Principle ◽  
X Ray Diffraction ◽  
X Ray ◽  
First Principle Calculations ◽  
Photodegradation Efficiency

AbstractIdeal sillenite type Bi12FeO20 (BFO) micron sized single crystals have been successfully grown via inexpensive hydrothermal method. The refined single crystal X-ray diffraction data reveals cubic Bi12FeO20 structure with single crystal parameters. Occurrence of rare Fe4+ state is identified via X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The lattice parameter (a) and corresponding molar volume (Vm) of Bi12FeO20 have been measured in the temperature range of 30–700 °C by the X-ray diffraction method. The thermal expansion coefficient (α) 3.93 × 10–5 K−1 was calculated from the measured values of the parameters. Electronic structure and density of states are investigated by first principle calculations. Photoelectrochemical measurements on single crystals with bandgap of 2 eV reveal significant photo response. The photoactivity of as grown crystals were further investigated by degrading organic effluents such as Methylene blue (MB) and Congo red (CR) under natural sunlight. BFO showed photodegradation efficiency about 74.23% and 32.10% for degrading MB and CR respectively. Interesting morphology and microstructure of pointed spearhead like BFO crystals provide a new insight in designing and synthesizing multifunctional single crystals.

Lewis-Base Adducts of Group 1B Metal(I) Compounds. XXI The Crystal and Molecular Structures of the Unsolvated Forms of Dibromotris(triphenylphosphine)dicopper(I) and 'step' Tetrabromotetrakis(triphenyl-phosphine)tetracopper(I)

1985 ◽  
Vol 38 (8) ◽  
pp. 1243 ◽  
Author(s):  
JC Dyason ◽  
LM Engelhardt ◽  
C Pakawatchai ◽  
PC Healy ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Molecular Structures ◽  
Lewis Base ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triphenyl Phosphine ◽  
X Ray ◽  
Crystal And Molecular Structures

The crystal structures of the title compounds have been determined by single-crystal X-ray diffraction methods at 295 K. Crystal data for (PPh3)2CuBr2Cu(PPh3) (1) show that the crystals are iso-morphous with the previously studied chloro analogue, being monoclinic, P21/c, a 19.390(8), b 9.912(5), c 26.979(9) Ǻ, β 112,33(3)°; R 0.043 for No 3444. Cu( trigonal )- P;Br respectively are 2.191(3); 2.409(2), 2.364(2) Ǻ. Cu(tetrahedral)- P;Br respectively are 2.241(3), 2.249(3); 2.550(2), 2.571(2) Ǻ. Crystals of 'step' [PPh3CuBr]4 (2) are isomorphous with the solvated bromo and unsolvated iodo analogues, being monoclinic, C2/c, a 25.687(10), b 16.084(7), c 17.815(9) Ǻ, β 110.92(3)°; R 0.072 for No 3055. Cu( trigonal )- P;Br respectively are 2.206(5); 2.371(3), 2.427(2) Ǻ. Cu(tetrahedral)- P;Br are 2.207(4); 2.446(2), 2.676(3), 2.515(3) Ǻ.

Experimental and computational structural study of two hindered aminoanthraquinones in crystals and solutions

2000 ◽  
Vol 215 (9) ◽  
Author(s):  
A.V. Yatsenko ◽  
K.A. Paseshnichenko ◽  
S.I. Popov
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Electronic Spectra ◽  
Molecular Structures ◽  
Amino Group ◽  
Single Crystal Diffraction ◽  
Molecular Conformations ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Visible Spectra

The crystal and molecular structures of 2-methyl-1-methylamino-anthraquinone (I) and 1-methylphenylamino-anthraquinone (II) were studied by the X-ray single-crystal diffraction and the visible spectra of crystalline specimens and their solutions were recorded. The molecule I is closely planar, whereas in the molecule II the amino group is 58° rotated out of the plane of the anthraquinone skeleton. In both structures the molecules pack in stacks. The comparison of experimental and calculated (on the DFT and AM1 levels) molecular structures, together with the comparison of experimental and INDO/S-calculated electronic spectra, give the evidence that molecular conformations (especially for II) change upon transfer from the solid state to solutions, and the π-delocalisation throughout the whole molecule enhances in the solid state.

Structural, Optical, Photocatalytic and Electrochemical Studies of PbS Nanoparticles

2020 ◽  
Vol 61 ◽  
pp. 18-31 ◽  
Author(s):  
Peter A. Ajibade ◽  
Abimbola E. Oluwalana
Keyword(s):  
Particle Sizes ◽  
X Ray Diffraction ◽  
Lead Sulphide ◽  
Electron Transfer Process ◽  
Sem Images ◽  
Pbs Nanoparticles ◽  
X Ray ◽  
Diffusion Controlled ◽  
Reversible Redox ◽  
Diffraction Patterns

Oleic acid (OA) and octadecylamine (ODA) capped lead sulphide (PbS) nanoparticles were prepared at 150, 190 and 230 °C. X-ray diffraction patterns indicates that the synthesized PbS nanoparticles were in the rock cubic salt crystalline phase. The particle sizes of the as-prepared PbS nanoparticles are in the range 2.91–10.05 nm for OA-PbS(150), 24.92–39.98 nm for ODA-PbS(150), 9.26 – 29.08 nm for OA-PbS(190), 34.54 – 48.04 nm for ODA-PbS(190), 17.96–88.07 nm for OA-PbS(230) and 53.60 – 94.42 nm for ODA-PbS(230). SEM images revealed flaky and agglomerated spherical like morphology for the nanoparticles. The energy bandgap of the PbS nanoparticles are in the range 4.14 – 4.25 eV, OA-PbS(230) have the lowest bandgap of 4.14 eV while ODA-PbS(150) have the highest bandgap of 4.25 eV. The PbS nanoparticles were used as photocatalyst for the degradation of Rhodamine B and OA-PbS(150) showed efficiency of 44.11% after 360 mins. Cyclic voltammetry of the PbS nanoparticles showed a reversible redox reaction and linear Randles-Sevcik plots indicates electron transfer process is diffusion controlled.

Synthese und Eigenschaften einiger Silylethinylsilane; Molekülstruktur von Tetrakis(trimethylsilylethinyl)silan / Synthesis and Properties of Some Silylethynylsilane; Molecular Structure of Tetrakis(trimethylsilylethynyl)silane

1988 ◽  
Vol 43 (1) ◽  
pp. 49-52 ◽  
Author(s):  
Hubert Schmidbaur ◽  
Jan Ebenhöch
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Silicon Atom ◽  
Grignard Reagent ◽  
X Ray Diffraction ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Nmr Data

Abstract Trimethylsilylethine (1) has been prepared from C2H2, sodium and Me3SiCl in anisole. The product can be converted into a Grignard reagent Me3SiC≡CMgCl using iPrMgCl. This reagent yields the compounds Me3SiC≡CSiH3, (Me3SiC≡C)2SiH2, (Me3SiC≡C)3SiH, and (Me3SiC≡C)4Si (2-5) when treated with equivalent amounts of H3SiBr, H2SiBr2, HSiCl3, or SiCl4. respectively. The new silanes have been characterized by NMR data. The crystal structure of (Me3SiC≡C)4Si has been determined by single crystal X-ray diffraction. It shows the expected tetrahedral geometry at he central silicon atom with four linear SiC≡CSi linkages.

scholarly journals Transition metal complexes with pyrazole-based ligands, Part 29: Reactions of zinc(II) and mercury(II) thiocyanate with 4-acetyl-3-amino-5-methylpyrazole

2009 ◽  
Vol 74 (11) ◽  
pp. 1259-1271 ◽  
Author(s):  
Zeljko Jacimovic ◽  
Goran Bogdanovic ◽  
Berta Holló ◽  
Vukadin Leovac ◽  
Katalin Szécsényi-Mészáros
Keyword(s):  
Transition Metal Complexes ◽  
Zinc Complex ◽  
Ammonium Thiocyanate ◽  
Molecular Structures ◽  
Coordination Geometry ◽  
Ethanolic Solution ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Planar Form ◽  
Monodentate Coordination

The work is concerned with the crystal and molecular structures of zinc(II) and mercury(II) complexes with 4-acetyl-3-amino-5-methyl-pyrazole (aamp) of the coordination formulae [Zn(NCS)2(aamp)2[ and (Haamp)2[Hg(SCN)4]. The zinc(II) complex was obtained by the reaction of a warm methanolic solution of aamp with a mixture of zinc(II) nitrate and ammonium thiocyanate, whereas the mercury(II) complex was prepared by the reaction of a warm ethanolic solution of aamp and a warm, slightly acidified aqueous solution of [Hg(SCN)4]2-. Both complexes have a tetrahedral geometry, which in the case of zinc complex is formed by monodentate coordination of two aamp molecules and two isothiocyanate groups. The Zn(II) and Hg(II) atoms have significantly deformed coordination geometry. In both crystal structures the pyrazole derivative has a planar form, probably stabilized by an intramolecular N-H???O hydrogen bond. Apart from the X-ray structural analysis, the isolated complexes were characterized by elemental analysis, IR spectroscopy, conductometric measurements and thermal analysis.

Base-Catalyzed Self-Condensation of Arylacetaldehydes: Molecular Structures of (E)-2,4-Bis(9-Anthryl)but-2-enal and (E)-2,4-Diphenylbut-2-enal

1988 ◽  
Vol 41 (5) ◽  
pp. 727 ◽  
Author(s):  
O Axelsson ◽  
HD Becker ◽  
BW Skelton ◽  
H Sorenson ◽  
AH White
Keyword(s):  
Double Bond ◽  
Single Crystal ◽  
Structure Determination ◽  
Molecular Structures ◽  
Trans Conformation ◽  
X Ray ◽  
Olefinic Double Bond

Both 9-anthrylacetaldehyde and phenylacetaldehyde undergo stereoselective self-condensation in the presence of base to give (E)- 2,4-di(9-anthryl)but-2-enal (2a), and (E)-2,4-diphenylbut-2-enal (2b) respectively, as established by single-crystal X-ray structure determination. Crystals of (2a) are monoclinic, P21/n, Z 8, a 10.638(9), b 20.68(1), c 20.41(2)Ǻ, β 92.36(5)°; R was 0.061 for No 3476 'observed' reflections. Crystals of (2b) are monoclinic, P21/c, Z 4, a 5.781(2), b 23.163(8), c 9.297(5)Ǻ, β 91.54(4)°; R 0.037 for No 1174. In both compounds, the enal moiety assumes a virtually planar s-trans conformation, with the angles between the planes of the olefinic double bond and the adjacent aromatic π-system around 70°.

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