Syntheses, Crystal Structures and Electrochemical Properties of Acetylacetonato-Ruthenium Complexes Containing Substituted Pyridine Ligands

2013 ◽  
Vol 68 (9) ◽  
pp. 993-999 ◽  
Author(s):  
Xiuli Wu ◽  
Rufei Ye ◽  
Ai-Quan Jia ◽  
Qun Chen ◽  
Qian-Feng Zhang
Keyword(s):  
Electrochemical Properties ◽  
Crystal Structures ◽  
Zinc Dust ◽  
Ruthenium Complexes ◽  
Reducing Agent ◽  
Molecular Structures ◽  
X Ray ◽  
X Ray Crystallography ◽  
Crystal And Molecular Structures ◽  
Pyridine Ligands

Treatment of Ru(acac)3 with 2-cyano-pyridine and 3,5-dimethyl-pyridine in the presence of zinc dust as reducing agent in refluxing THF afforded the ruthenium(II) complexes cis-[RuII(acac)2(2- CN-py)2] (1) and cis-[RuII(acac)2(3,5-Me2-py)2] (2), respectively. Interaction of Ru(acac)3 with 3- Me-pyridine and 3,5-Me2-pyridine in the presence of Br2 in refluxing THF gave the ruthenium(III) complexes [RuIII(acac)Br2(3-Me-py)2] (3) and [RuIII(acac)Br2(3,5-Me2-py)2] (4), respectively. The four complexes have been spectroscopically and electrochemically characterized, and their crystal and molecular structures have been established by X-ray crystallography

scholarly journals Die Kristall- und Molekülstrukturen der Verbindungen [Cl4–xSn{Co(CO)4}x] mit x = 1,2 und 3 / The Crystal and Molecular Structures of the Compounds [Cl4-xSn{Co(CO)4}x] with x = 1,2 and 3

1991 ◽  
Vol 46 (2) ◽  
pp. 187-191 ◽  
Author(s):  
Peter Klüfers
Keyword(s):  
Crystal Structures ◽  
Molecular Structures ◽  
Trigonal Bipyramid ◽  
X Ray ◽  
X Ray Crystallography ◽  
Crystal And Molecular Structures ◽  
Distorted Trigonal Bipyramid

The crystal structures of the compounds [Cl3SnCo(CO)4] 1, [Cl2Sn{Co(CO)4}2]2, and [ClSn{Co(CO)4}3]3, have been determined by X-ray crystallography. Sn is co-ordinated tetrahedrally by Cl- and Co-substituents, the co-ordination polyhedron of Co is a distorted trigonal bipyramid. The Sn -Cl- and the Sn-Co-distances both increase from 1 to 3 (Sn -Co: 247.7 in 1, 253.2 in 2, and 260.6 pm in 3).

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.

3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200 K. X-ray crystallography and quantum-chemical analysis

1999 ◽  
Vol 55 (3) ◽  
pp. 441-447 ◽  
Author(s):  
Lourdes Infantes ◽  
Concepción Foces-Foces ◽  
Jose Elguero
Keyword(s):  
Quantum Chemical ◽  
Molecular Structures ◽  
Asymmetric Unit ◽  
Quantum Chemical Analysis ◽  
X Ray ◽  
X Ray Crystallography ◽  
Crystal And Molecular Structures ◽  
Unit Form ◽  
Proton Disorder ◽  
Independent Molecules

The crystal and molecular structures of 3(5),4-dimethylpyrazole, C5H8N2, (I), and of 3,4,5-trimethylpyrazole, C6H10N2, (II), have been determined at 200 K. In (I) the 4,5-dimethylpyrazole tautomer is present in the solid state and the six independent molecules in the asymmetric unit form trimers via NH...N hydrogen bonds related by a pseudo centre of symmetry. The asymmetric unit of (II) contains one and a half molecules: these exhibit NH proton disorder and are hydrogen bonded to each other via their respective NH groups to form chains. Ab initio calculations at HF and B3LYP/6-31G** levels indicate that the 3,4-dimethylpyrazole tautomer is more stable than the 4,5-dimethylpyrazole tautomer by only approximately 0.5  kcal  mol−1 (1 kcal mol−1 = 4.184 kJ mol−1).

Synthesis, Characterization and Crystal Structures of 1,2-Disubstituted Ferrocenyl Stibines

2012 ◽  
Vol 67 (1) ◽  
pp. 36-40
Author(s):  
Diego Pérez ◽  
Pankaj Sharma ◽  
Ana M. Ortiz ◽  
Armando Cabrera ◽  
Simon Hernández ◽  
...  
Keyword(s):  
Solid State ◽  
Acetic Anhydride ◽  
Nucleophilic Substitution ◽  
Sodium Hydroxide ◽  
Crystal Structures ◽  
Analytical Methods ◽  
Molecular Structures ◽  
X Ray ◽  
X Ray Crystallography ◽  
Pendant Arm

New 1,2-disubstituted ferrocenyl stibines containing a -CH2OR pendant arm were synthesized and characterized by various spectral and analytical methods. Nucleophilic substitution of rac-diphenyl[( 2-trimethylammoniomethylferrocen-1-yl)]stibine iodide by methanol produces compound Fc(CH2OMe)SbPh2 (1). The acetylation of diphenyl(2-dimethylaminomethylferrocen-1-yl)stibine by acetic anhydride affords compound Fc(CH2OCOCH3)SbPh2 (2), which on further reaction with sodium hydroxide affords the alcohol Fc(CH2OH)SbPh2 (3). The molecular structures of the stibines 1, 2 and 3 were determined by X-ray crystallography. None of the heterobimetallic compounds containing a -CH2OR arm shows hypervalent interactions in the solid state. By contrast, hypervalent interactions were found in ferrocenyl stibines with a -CH2NR2 pendant arm.

Crystal structures of 1-(m-nitrophenyl)-2,2-dicarboethoxy-3-phenyl-pyrrolidin-5-one (C22H22N2O7) (I) and 1-(p-chlorophenyl)-2,2-dicarboethoxy-3-phenyl-pyrrolidin-5-one (C22H22NO5Cl) (II)

1989 ◽  
Vol 189 (3-4) ◽  
Author(s):  
G. D. Nigam ◽  
G. Mattern ◽  
R. Fröhlich
Keyword(s):  
Crystal Structures ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Crystal And Molecular Structures

AbstractThe crystal and molecular structures of 1-(m-nitrophenyl)-2,2-dicarboethoxy-3-phenyl-pyrrolidin-5-one (I) and 1-(p-chlorophenyl)-2,2-dicarboethoxy-3-phenyl-pyrrolidin-5-one (II) have been determined by X-ray diffraction methods. (I) crystallizes in the monoclinic space group

Two crystal structures of 10,10′-(l,4-phenylene-dimethylidene)-bis-9,10-H-anthracenone

1992 ◽  
Vol 200 (3-4) ◽  
Author(s):  
G. Dewald ◽  
M. Hanack ◽  
E.-M. Peters ◽  
L. Walz
Keyword(s):  
Crystal Structures ◽  
Diffraction Data ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Space Group ◽  
X Ray ◽  
Crystal And Molecular Structures

AbstractThe crystal and molecular structures of dimorphic 10,10′-(1,4-phenylene-dimethylidene)-bis-9,10-H-anthracenone (1) have been determined using X-ray diffraction data. The compound crystallizes either in the monoclinic space groupSince all non-hydrogen atoms are of pure

Synthesis and characterization of [MII(bqb)] (M = Co, Ni, Cu), [N(n-Bu)4][CoIII(bqb)(CN)2], and [N(n-Bu)4][CoIII(bqb)(N3)2] containing deprotonated N,N'-bis(2-quinolinecarboxamide)-1,2-benzene (bqb) – X-ray crystal structures of [NiII(bqb)] and [N(n-Bu)4][CoIII(bqb)(N3)2]

2006 ◽  
Vol 84 (7) ◽  
pp. 971-978 ◽  
Author(s):  
Soria Meghdadi ◽  
Mehdi Amirnasr ◽  
Vratislav Langer ◽  
Alison Zamanpoor
Keyword(s):  
Crystal Structures ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
H Nmr ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Elemental Analyses

Cobalt(II), nickel(II), copper(II), and two cobalt(III) complexes of a new dianionic ligand, bqb, [H2bqb = N,N'-bis(2-quinolinecarboxamide)-1,2-benzene] have been synthesized and characterized by elemental analyses, IR, and 1H NMR spectroscopy. The crystal and molecular structures of the [Ni(bqb)] (2) and [N(n-Bu)4][CoIII(bqb)(N3)2] (5) complexes were determined by X-ray crystallography. Complex 2 crystallizes in the monoclinic space group C2/c with a distorted square-planar structure including two short Ni–N (1.848 Å) and two long Ni–N (1.958 Å) bonds. The structure consists of sheets formed in the plane parallel to the b axis and diagonal to vectors a and c by intermolecular hydrogen bonds. Complex 5 crystallizes in the monoclinic space group C2 with a distorted octahedral structure. The [N(n-Bu)4]+ ion is disordered at the C3A and C4A atoms of one Bu. The IR and 1H NMR spectra of the complexes are also discussed.Key words: N4-dianionic amido ligand (bqb), (bqb) complexes of Co(II), Ni(II), Cu(II), and Co(III), azide, cyanide, X-ray crystal structures.

Crystal and molecular structures of three 2-substituted 4-methyloxan-4-ol derivatives studied by X-ray crystallography and by PM6 calculations

2008 ◽  
Vol 223 (7/2008) ◽  
Author(s):  
Julio Zukerman-Schpector ◽  
Alcindo A. Dos Santos ◽  
Alexandra Macedo ◽  
Edison P. Wendler ◽  
Gilmar A. Brito ◽  
...  
Keyword(s):  
Single Crystal ◽  
Molecular Structures ◽  
X Ray ◽  
X Ray Crystallography ◽  
Crystal And Molecular Structures ◽  
Semi Empirical

AbstractThe conformational features of three 2-substituted 4-methyloxan-4-ol (tetrahydropyran) derivatives were investigated by single crystal X-ray crystallographic studies and the geometries were optimized using semi-empirical PM6 methods. The tetrahydropyran ring in each of (

Syntheses and crystal structures of ruthenium complexes with bidentate salicylaldiminato and dithiophosphato ligands

2018 ◽  
Vol 73 (5) ◽  
pp. 329-335
Author(s):  
Li-Hua Tang ◽  
Fule Wu ◽  
Hui Lin ◽  
Ai-Quan Jia ◽  
Qian-Feng Zhang
Keyword(s):  
Schiff Base ◽  
Single Crystal ◽  
Crystal Structures ◽  
Schiff Bases ◽  
Ruthenium Complexes ◽  
Molecular Structures ◽  
Carbonyl Complexes ◽  
X Ray Diffraction ◽  
X Ray

AbstractTreatment of the bidentate Schiff base 2-[(2,6-diisopropyl-phenylimino)-methyl]-phenol (HL1) with one equivalent of (Et4N)[RuCl4(MeCN)2] in the presence of triethylamine afforded (Et4N)[RuCl3(κ2-N,O-L1)(MeCN)] (1), which reacted with two equivalents of K[S2P(OiPr)2] to produce a neutral ruthenium(III) complex [Ru(κ2-N,O-L1){η2-S2P(OiPr)2}2] (2) bearing both salicylaldiminato and dithiophosphato ligands. Reactions of the bidentate Schiff bases 2-[(3-chloro-phenylimino)-methyl]-phenol (HL2) and 2-[(2,4,6-trimethyl-phenylimino)-methyl]-phenol (HL3) with one equivalent of [Ru(CO)2Cl2] in the presence of triethylamine led to formation of the corresponding anionic ruthenium(II) carbonyl complexes (Et3NH)[RuCl2(κ2-N,O-L2)(CO)2] (3) and (Et3NH)[RuCl2(κ2-N,O-L3)(CO)2] (4). The molecular structures of complexes 2–4 have been determined by single-crystal X-ray diffraction.

gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures

2019 ◽  
Vol 48 (30) ◽  
pp. 11492-11507
Author(s):  
Hasrat Ali ◽  
Brigitte Guérin ◽  
Johan E. van Lier
Keyword(s):  
Crystal Structures ◽  
Surface Analysis ◽  
Spectral Properties ◽  
Hirshfeld Surface ◽  
Molecular Structures ◽  
Hirshfeld Surface Analysis ◽  
X Ray ◽  
X Ray Crystallography

New asymmetric/symmetric BODIPY derivatives, bearing gem-dibromovinyl substituents were synthesized and studied for their absorption, fluorescence, solvatochromism, X-ray crystallography and Hirshfeld surface analysis to determine molecular structures.

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