The identification of some new antimony(III) compounds containing fluoroxyl ligands by 19F solution-state NMR spectroscopy: crystal and molecular structure of (Ar′=2,6-(CF3)2C6H3; Ar″=2,4-(CF3)2C6H3)

2005 ◽  
Vol 358 (3) ◽  
pp. 844-848 ◽  
Author(s):  
Stéphanie M. Cornet ◽  
Keith B. Dillon ◽  
Andrés E. Goeta
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Solution State

Chrom(0)-und Molybdän(0)-Komplexe von 11-Isopropyliden-bicyclo[4.4.1]undeca-2,4,8-trienen / Chromium(0) and Molybdenum(0) Complexes of 11-Isopropylidene-bicyclo[4.4. 1]undeca-2,4,8-trienes

1986 ◽  
Vol 41 (6) ◽  
pp. 722-730 ◽  
Author(s):  
Cornelius G. Kreiter ◽  
Eduard Michels ◽  
Jürgen Kaub
Keyword(s):  
Molecular Structure ◽  
Double Bond ◽  
Nmr Spectroscopy ◽  
Transition Metals ◽  
Crystal And Molecular Structure ◽  
Double Bonds ◽  
Conjugated Diene ◽  
X Ray ◽  
Ir And Nmr Spectroscopy ◽  
Elemental Analyses

11-Isopropylidene-bicyclo[4.4.1]undeca-2,4,8-triene (IBU, 1A) and five alkyl substituted de­rivatives (1B-1F) contain a conjugated diene unit and two isolated CC-double bonds, one exocyclic and one incorporated into the bicvclus, each suited for complexation to transition metals. With [Cr(CO)3(CH3CN)3] (2) 1A-1F form [Cr(CO)3(η6-IBU)] complexes (3A−3F). in which the IBU ligands are coordinated to the chromium via the diene unit and the exocyclic CC-double bond. The corresponding [Mo(CO)3(η6-IBU)] complexes (5A−5F) are obtained from the reactions of [Mo(CO)3(diglyme)] (4) with 1A−1F. In addition, the isomeric [Mo(CO)3(η6-IBU)] complexes (6A−6D) are formed, in which the IBU ligands are bound to molybdenum via the three cyclic CC-double bonds. The complexes 3A−3F, 5A−5F and 6A−6D were studied by IR and NMR spectroscopy (1H. 13C) and characterized by C, H elemental analyses. The crystal and molecular structure of 1A was determined by X-ray structure analysis.

Phenylboration of Monoalkyn-1-yltin Compounds

2007 ◽  
Vol 62 (12) ◽  
pp. 1509-1513 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Oleg L. Tok ◽  
Wolfgang Milius
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Side Reaction ◽  
X Ray ◽  
Solution State

The 1 : 1 reactions of triphenylborane 1 with monoalkyn-1-yltin compounds Me3Sn-C≡C-R1 2 [R1 = tBu (a), Ph (b), ferrocenyl (c), Si(H)Me2 (d), SnMe3 (e)] afford mainly (> 80 %) the corresponding alkene derivatives 3 by 1,1-phenylboration. Exchange B-Ph/Sn-C≡C-R1 takes place as a side reaction. The corresponding 1 : 2 reaction with 2b leads to the dialkenylborane 4b (R1 = Ph), of which the molecular structure could be determined by X-ray analysis. In contrast, the 1 : 2 reaction with 2e gave an allene derivative 5e. The solution-state structures of compounds 3 - 5 have been confirmed by 1H, 11B, 13C and 119Sn NMR spectroscopy.

Aromatic propellenes. Part 1. NMR spectroscopy, X-ray crystal and molecular structure of hexa(3,5-dimethylpyrazol-1-yl)benzene

1995 ◽  
pp. 1359 ◽  
Author(s):  
Concepci�n Foces-Foces ◽  
Antonio L. Llamas-Saiz ◽  
Rosa Ma Claramunt ◽  
Nadine Jagerovic ◽  
Mar�a Luisa Jimeno ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Crystal And Molecular Structure ◽  
X Ray

Coordination Behavior of tBu2PH towards [{Rh(μ-Cl)(coe)2}2] (coe = cis-cyclooctene): Crystal and Molecular Structure of [{Rh(μ-Cl)(tBu2PH)2}2]

2008 ◽  
Vol 63 (9) ◽  
pp. 1035-1039 ◽  
Author(s):  
Hans-Christian Böttcher ◽  
Peter Mayer
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Molar Ratio ◽  
X Ray ◽  
X Ray Crystallography ◽  
Molar Ratios ◽  
H Nmr ◽  
Coordination Behavior ◽  
Independent Synthesis

The reaction of [{Rh(μ-Cl)(coe)2}2] (coe = cis-cyclooctene) with tBu2PH in different solvents in various molar ratios was investigated. Working with a molar ratio of Rh to P = 1 : 2 in heptane overnight afforded [{Rh(μ-Cl)(tBu2PH)2}2] (1) in nearly quantitative yield. Upon tuning the molar ratio (Rh/P) in the range from 1 : 2 to 1 : 0.5, 31P{1H} NMR spectroscopy indicated the formation of [(tBu2PH)2Rh(μ-Cl)2Rh(coe)2] (3) besides the complexes [{Rh(μ-Cl)(coe)(tBu2PH)}2] (cis, 2a; trans, 2b). The constitution of 3 was established by an independent synthesis mixing 1 with [{Rh(μ- Cl)(coe)2}2] or [{Rh(μ-Cl)(cod)}2] (cod = 1.4-cyclooctadiene), respectively, which also yielded [(tBu2PH)2Rh(μ-Cl)2Rh(cod)] (4). Single crystals of 1 have been analyzed by X-ray crystallography (monoclinic, Cc, Z = 8, a = 32.7375(3), b = 11.1294(1), c = 24.5134(3)Å ; β = 106.7228(4)◦; V = 8553.70(15) Å3; T = 200 (2) K).

A pyridine adduct of bis(di-iso-butyldithiocarbamato-S,S′)cadmium(II): Multinuclear (13C, 15N, 113Cd) CP/MAS NMR spectroscopy, crystal and molecular structure, and thermal behaviour

2011 ◽  
Vol 368 (1) ◽  
pp. 263-270 ◽  
Author(s):  
Tatyana A. Rodina ◽  
Alexander V. Ivanov ◽  
Andrey V. Gerasimenko ◽  
Maxim A. Ivanov ◽  
Anna S. Zaeva ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Thermal Behaviour ◽  
Crystal And Molecular Structure ◽  
Mas Nmr ◽  
Cp Mas Nmr

Structural investigations of substituted methylenemalonaldehydes by X-ray crystallography and NMR spectroscopy

1987 ◽  
Vol 52 (3) ◽  
pp. 714-726 ◽  
Author(s):  
Tapani A. Pakkanen ◽  
Vesa Nevalainen ◽  
Vladimír Král ◽  
Reino Laatikainen ◽  
Zdeněk Arnold
Keyword(s):  
Molecular Structure ◽  
Double Bond ◽  
Nmr Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Spatial Arrangement ◽  
Structural Investigations ◽  
X Ray ◽  
X Ray Crystallography ◽  
Monosubstituted Derivative ◽  
Solid State Conformation

Crystal and molecular structure of three substituted methylenemalonaldehydes I-III was studied. The spatial arrangement of the monosubstituted derivative I differs significantly from that of the disubstituted methylenemalonaldehydes II and III, not only in the solid state conformation of the malonaldehyde fragment but also in the length of the ethylenic C=C double bond and in its distorsion. The structures found in crystal are compared with conformations in solutions determined by NMR spectroscopy.

Sign in / Sign up

Export Citation Format

Share Document