scholarly journals Chemistry of Dienyl Anions. II. Crystalline Bis(dienyl)magnesium. Selective Dienylation and Structure in Solution and in the Solid State

1980 ◽  
Vol 53 (4) ◽  
pp. 1089-1100 ◽  
Author(s):  
Hajime Yasuda ◽  
Michihide Yamauchi ◽  
Akira Nakamura ◽  
Tsuyoshi Sei ◽  
Yasushi Kai ◽  
...  
Keyword(s):  
Solid State ◽  
Structure In Solution

scholarly journals Effect of Heterocyclic Ring on LnIII Coordination, Luminescence and Extraction of Diamides of 2,2′-Bipyridyl-6,6′-Dicarboxylic Acid

Molecules ◽  
2019 ◽  
Vol 25 (1) ◽  
pp. 62 ◽  
Author(s):  
Nataliya E. Borisova ◽  
Alexey V. Ivanov ◽  
Anastasia V. Kharcheva ◽  
Tsagana B. Sumyanova ◽  
Uliana V. Surkova ◽  
...  
Keyword(s):  
Solid State ◽  
Dicarboxylic Acid ◽  
Large Deviation ◽  
Specific Interaction ◽  
Heterocyclic Ring ◽  
Solution Stability ◽  
Solvent Molecules ◽  
Electron Sink ◽  
Structure In Solution ◽  
Eu Complexes

We have synthesized and examined several complexes of lanthanides with diamides of 2,2′-bipyridyl-6,6′-dicarboxylic acid bearing various hetaryl-based side chains for the elucidation of the effect of the heterocycle on the structure and properties of the ligands. The multigram scale methods for the preparation of various N-alkyl-hetaryls and their diamides were developed. The solid state structure of 6-methyl-2-pyridylamide of 2,2′-bipyridyl-6,6′-dicarboxylic acid possesses a flat structure where the conformation is completely different from that previously observed for N-alkylated 2,2′-bipyridyl-6,6′-dicarboxamides and 2,6-pyridinedicarboxamides. The complexes of new ligands were synthesized and NMR and X-Ray studied their structure in solution and solid state. The results demonstrate that complexes possess the same structures both in solid state and in solution. Stability constants of the complexes were less when comparing with dimethyl-substituted diamides, but higher than for unsubstituted dianilide. Contrarily, the extraction ability of 2-pyridyl-diamide is significantly lower than for corresponding anilide. Specific interaction of extractant with solvent molecules, which is not available for electron-sink pyridine amides, can explain this. The luminescence of new Eu complexes was significantly higher than for all previously 2,2′-bipyridyl-6,6′-dicarboxamides and QY reaches 18%. Asymmetry ratios of Eu complexes were 25% higher when compared other complexes with 2,2′-bipyridyl-6,6′-dicarboxamides, which indicates large deviation from the inversion center.

Mixed-Oxidation Divanadium(IV,V) Compound with Ligand Asymmetry: Electronic and Molecular Structure in Solution and in the Solid State

1999 ◽  
Vol 38 (9) ◽  
pp. 1982-1988 ◽  
Author(s):  
Subodh Kanti Dutta ◽  
Satyabrata Samanta ◽  
Sujit Baran Kumar ◽  
Oc Hee Han ◽  
Pannee Burckel ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Mixed Oxidation ◽  
Structure In Solution

Triferrocenylborane – Molecular Structure in Solution and in the Solid State

1995 ◽  
Vol 50 (2) ◽  
pp. 201-204 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Udo Dörfler ◽  
Wolfgang Milius ◽  
Max Herberhold
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Low Temperature ◽  
Single Crystal ◽  
Nmr Spectra ◽  
The Other ◽  
X Ray ◽  
Single Diastereomer ◽  
Structure In Solution ◽  
C Nmr

According to a single crystal X-ray structure determination all three ferrocenyl substituents of triferrocenylborane (1) adopt the same orientation with respect to the BC3-plane [P21/c monoclinic; Z = 4; a = 1353.5(3), b = 1695.6(3), c = 1056.4(2) pm, β = 109.27(3)°]. The simulated X-ray powder pattern of the single crystal is identical with the powder diagram of a macroscopic sample, indicating the presence of a single diastereomer (1a) in the solid state. However, at low temperature (< - 95 °C) in solution, the 13C NMR spectra suggest the presence of the second diastereomer (1b) in which one ferrocenyl group is oriented opposite to the other two with respect to the central BC3-plane.

Étude structurale d'une imidazolylcétone l'isopropyl-1-phényl-2-diaza-1,3-one-6-bicyclo[3,3,0]octène-2

1990 ◽  
Vol 68 (12) ◽  
pp. 2192-2197
Author(s):  
Jean-Pierre Reboul ◽  
Pierre Brouant ◽  
Jacques Barbe ◽  
Claude Caranoni ◽  
Catherine Soula ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Resonance Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure In Solution ◽  
State Configuration

The solid state configuration of 1-isopropyl-2-phenyl-1,3-diaza-6-one-bicyclo[3.3.0]oct-2-ene was determined from X-ray diffraction data (a = 10.039(3) Å; b = 8.683(3) Å; c = 15.505(6) Å; β = 90.72(9)°; P21/c;R = 0.047). This structure is compared to those of three other related (Δ-2)-imidazolines. Molecular structure in solution was investigated by 1H nuclear magnetic resonance spectroscopy. Results clearly indicate that the title compound has the same structure in the solid state as in solution. On the contrary, this configuration differs appreciably from those of other (Δ-2)-imidazolines considered in this report. Keywords: (Δ-2)-imidazolines, crystal structure, NMR, conformations.

Zwei neue Tetraphosphor-trichalkogeno-diiodide α′-P4Se3I2 und α′-P4S3I2 / Two New Tetraphosphorus-trichalcogeno-diiodies α′-P4Se3I2 and α′-P4S3I2

1984 ◽  
Vol 39 (6) ◽  
pp. 778-782 ◽  
Author(s):  
R. Blachnik ◽  
G. Kurz ◽  
U. Wickel
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Unit Cell ◽  
Lattice Parameters ◽  
Molten State ◽  
Asymmetric Unit ◽  
Space Group ◽  
Nmr Data ◽  
Structure In Solution

Abstractα′-P4Se3I2 and α′-P4S3I2 were prepared by the reaction of P4S3 (P4Se3) with I2 in the molten state. The structure of α′-P4Se3I2 was determined. The compound crystallizes in the tetragonal space group I4̄2d with a - 1200.5(2) pm, c = 1518.8(4) pm, and eight molecules per unit cell. The structure was refined with 814 of 1402 observed reflections to a conventional residual of R = 0.045. One half of a molecule is forming the asymmetric unit. α′-P4S3l2 is isotypic with the lattice parameters a = 1182.2(2) pm and c = 1496.8(4) pm. 31P NMR data confirm that both modifica­tions have the same bicyclic molecular structure in solution as in the solid state and form an AA′BB′ system. Evidence is presented that the α-isomer is stabilized by the formation of two additional weak P-X bonds in this molecule.

N,N,N′,N′,N′,N″,N‴,N‴-Octamethyl-[bi-2,4,6-cycloheptatrien-1-yl]- 3,3′-dicarboxamidinium-Salze: Struktur der meso-Verbindung in Lösung und im Kristall [1] / N,N,N′,N′,N′,N″,N‴,N‴-Octamethyl-[bi-2,4,6-cycloheptatriene-1-yl]- 3,3′-dicarboxamidinium Salts: Structure of the meso-Compound in Solution and in Solid State [1]

1985 ◽  
Vol 40 (10) ◽  
pp. 1390-1397 ◽  
Author(s):  
Jörg Daub ◽  
Adelheid Hasenhündl ◽  
Erika Salbeck ◽  
Alfred Gieren ◽  
Thomas Hübner
Keyword(s):  
Solid State ◽  
Structure Analysis ◽  
Nmr Spectra ◽  
Oxidative Dimerization ◽  
Temperature Dependent ◽  
X Ray ◽  
H Nmr ◽  
Nmr Techniques ◽  
State 1 ◽  
Structure In Solution

3,3′-Bicycloheptatrienylamidinium salts 3 have been prepared by oxidative dimerization of 8 ,8 -bis(dimethylamino)heptafulvene (1). An X-ray structure analysis of the meso-octamethyl[bi-2,4,6-cycloheptatrienyl]3,3'-dicarboxamidinium-bis(triiodide) (3b) has been carried out. The dication 3 is centrosymmetric (Ci-symmetry) with boat shaped cycloheptatriene rings. The amidinium groups are twisted out of the plane of the C3(C3′)-C2(C2′) double bonds. The structure of the dication in the solid state is discussed in comparison with the structure in solution by aid of 1H NMR techniques. The N-methyls within one amidinium group show temperature dependent 1H NMR spectra and are chemically nonequivalent (anisochronous).

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