Self-Assembly of a Charge-Neutral Molecular Square

2004 ◽  
Vol 57 (5) ◽  
pp. 409 ◽  
Author(s):  
Mohammad Akbar Ali ◽  
Paul V. Bernhardt ◽  
Chong Lee Kiem ◽  
Aminul Huq Mirza
Keyword(s):  
Molecular Weight ◽  
Solid State ◽  
Self Assembly ◽  
1H Nmr Spectroscopy ◽  
The Self ◽  
State Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
A Charge ◽  
Molecular Square

Complexation of cadmium(II) by the ditopic (bis-tridentate) thiocarbazone ligand 1,5-bis(6-methyl-2-pyridyl- methylene)thiocarbonohydrazide, H2L1, results in the self-assembly of a charge-neutral 2 × 2 molecular grid, [Cd4(L1)4], comprising four metals and four ligands in an interlocked cyclic array. The solid-state structure of this tetramer has been established by X-ray crystallography and in solution by 1H NMR spectroscopy. The presence of lower molecular weight oligomers was identified by both NMR and ESI-MS.

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.

Unprecedented Hexa- and Undecanuclear Frameworks of Two New Tin(IV) Oxo Clusters Resulting from Partial Debenzylation Reactions

2010 ◽  
Vol 65 (11) ◽  
pp. 1293-s1308 ◽  
Author(s):  
Laurent Plasseraud ◽  
Hélène Cattey ◽  
Philippe Richard
Keyword(s):  
Solid State ◽  
1H Nmr Spectroscopy ◽  
Trifluoromethanesulfonic Acid ◽  
Synthetic Route ◽  
State Structure ◽  
X Ray Diffraction ◽  
Neutral Cluster ◽  
Broad Resonance ◽  
X Ray ◽  
The Core

A new and facile synthetic route to the known neutral cluster ((PhCH2)2SnO)6[((PhCH2)2SnOH)2- (CO3)]2 (2) as well as its reactivity toward trifluoromethanesulfonic acid (HO3SCF3, TfOH) are reported. The solid-state structure of the new solvate 2·6C7H8 has been determined by single-crystal X-ray diffraction. The core of 2 can be described as a pair of coplanar pentanuclear [(PhCH2)2SnO]5 ladders bridged at their ends by two carbonate groups. Successive additions of TfOH to a suspension of 2 in CD3CN were monitored by 119Sn{1H} NMR spectroscopy showing the transformation of the fingerprint of 2 (δ = −244, −246, −306 ppm), via new upfield signals, to a final broad resonance located at δ = −474 ppm. Thereafter, two unprecedented ionic monobenzyltin(IV) oxo clusters, 3 and 4, resulting from a debenzylation reaction and exhibiting unusual hexa- and undecanuclear frameworks, respectively, have been isolated as single crystals.

The two solid-state conformations of nefopam methiodide, a quaternary ammonium salt of the analgesic drug

1990 ◽  
Vol 68 (7) ◽  
pp. 1128-1134 ◽  
Author(s):  
Robert Glaser ◽  
André Michel ◽  
Marc Drouin
Keyword(s):  
Solid State ◽  
Ammonium Salt ◽  
Quaternary Ammonium ◽  
Quaternary Ammonium Salt ◽  
State Structure ◽  
X Ray Diffraction ◽  
Analgesic Drug ◽  
X Ray ◽  
Positional Disorder ◽  
X Ray Crystallography

The solid-state structure of nefopam methiodide, a quaternary ammonium salt of nefopam hydrochloride (a non-narcotic analgesic drug), has been determined by single crystal X-ray diffraction analysis. Nefopam methiodide gives crystals belonging to the monoclinic P21/c space group and, at 298 K, a = 10.001(1), b = 9.928(1), c = 17.598(1) Å, β = 94.41(1)°, V = 1742.2(2) Å3, Z = 4, R(F) = 0.086, and Rw(F) = 0.108. Due to disorder, the boat (flattened chair) and twist-chair (flattened chair) conformations of the 2,5-benzoxazocine eight-membered ring were both observed in the crystal with 55:45 occupancy, respectively. Positional disorder was also observed for the iodide counterion, which showed occupancies of 81:9.5:9.5. Keywords: nefopam, analgesic, X-ray crystallography, conformation.

Encapsulation of L-Valine, D-Leucine and D-Methionine by Cucurbit[8]uril

CrystEngComm ◽  
2022 ◽  
Author(s):  
Zenghui Zhang ◽  
Rui-Lian Lin ◽  
Xiangyun Yu ◽  
Li-Xia Chen ◽  
Zhu Tao ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Binding Interactions ◽  
X Ray ◽  
X Ray Crystallography

The binding interactions of cucurbit[8]uril (Q[8]) with L-Valine, D-Leucine, and D-Methionine, both in aqueous solution and solid state, have been studied by 1H NMR spectroscopy and X-ray crystallography. 1H NMR...

Cyclic Alkyl(aryl)boranes for 1,1-Carboboration of Monoalkynyltin Compounds

2013 ◽  
Vol 68 (5-6) ◽  
pp. 493-502 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Peter Thoma ◽  
Wolfgang Milius
Keyword(s):  
Solid State ◽  
High Selectivity ◽  
Ring Expansion ◽  
Membered Ring ◽  
Reaction Products ◽  
State Structure ◽  
Alkyl Aryl ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nmr Techniques

Two cyclic alkyl(aryl)boranes, a 1-bora-indane derivative 1, and a tricyclic derivative 4, containing the boron atom in a six-membered ring, were structurally characterized by NMR techniques in solution. The solid-state structure of the 1-bora-indane 1 was determined by X-ray crystallography. The reactivity of these cyclic alkyl(aryl)boranes towards monoalkynyltin compounds, Me3Sn-C≡C-Me and Me3Sn-C C-Fc (Fc=ferrocenyl), was studied using multinuclear magnetic resonance methods (1H, 11B, 13C, 119Sn NMR). Novel alkenylboranes were formed by 1,1-carboboration reactions. This process involves an expansion of both five- and six-membered rings. Insertion into the respective B-C(aryl) bond was preferred with high selectivity. In the case of the six-membered ring in 4, the ring expansion to seven-membered rings proved to be readily reversible, and the thermodynamically stable reaction products were formed by ring contraction and concomitant transfer of the exocyclic B-nPr group

Solid-state structure of NH-pyrazolium hydrochlorides and hydrobromides by X-ray crystallography and CPMAS NMR

1997 ◽  
Vol 415 (1-2) ◽  
pp. 81-92 ◽  
Author(s):  
Concepción Foces-Foces ◽  
Lourdes Infantes ◽  
Rosa Marı́a Claramunt ◽  
Concepción López ◽  
Nadine Jagerovic ◽  
...  
Keyword(s):  
Solid State ◽  
State Structure ◽  
Solid State Structure ◽  
X Ray ◽  
X Ray Crystallography

Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole ligand: syntheses, structures and properties

2017 ◽  
Vol 73 (4) ◽  
pp. 314-318 ◽  
Author(s):  
Xu Wei ◽  
Jian-Hua Li ◽  
Qiu-Ying Huang ◽  
Xiang-Ru Meng
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Ir Spectra ◽  
Self Assembly ◽  
Three Dimensional ◽  
The Self ◽  
X Ray Diffraction ◽  
X Ray ◽  
Heterocyclic Ligand ◽  
Structures And Properties

The unsymmetrical N-heterocyclic ligand 1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole (bmi) has three potential N-atom donors and can act in monodentate or bridging coordination modes in the construction of complexes. In addition, the bmi ligand can adopt different coordination conformations, resulting in complexes with different structures due to the presence of the flexible methylene spacer. Two new complexes, namely bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole-κN3}dibromidomercury(II), [HgBr2(C10H9N5)2], and bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-imidazole-κN3}diiodidomercury(II), [HgI2(C10H9N5)2], have been synthesized through the self-assembly of bmi with HgBr2or HgI2. Single-crystal X-ray diffraction shows that both complexes are mononuclear structures, in which the bmi ligands coordinate to the HgIIions in monodentate modes. In the solid state, both complexes display three-dimensional networks formed by a combination of hydrogen bonds and π–π interactions. The IR spectra and PXRD patterns of both complexes have also been recorded.

scholarly journals Self-assembly of heteroleptic dinuclear silver(i) complexes bridged by bis(diphenylphosphino)ethyne

2018 ◽  
Vol 47 (3) ◽  
pp. 946-957 ◽  
Author(s):  
Sarah Keller ◽  
Timothy N. Camenzind ◽  
Johannes Abraham ◽  
Alessandro Prescimone ◽  
Daniel Häussinger ◽  
...  
Keyword(s):  
Self Assembly ◽  
The Self ◽  
X Ray ◽  
X Ray Crystallography

The self assembly of Ag[PF6], bis(diphenylphosphino)ethyne and a bpy or tpy ligand was studied in solution using 31P–109Ag HSQC spectroscopy and by X-ray crystallography.

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