Molecular Structure of Heterocycles: 4# NMR Spectroscopy, X-Ray Diffraction, and Semiempirical Mo Calculations of 3-Phenyl-5-Hydroxy- 5-Trichloromethyl-4,5-Dihydro-FH-Pyrazole-1-Carboxyamide

1999 ◽  
Vol 32 (5) ◽  
pp. 851-865 ◽  
Author(s):  
Helio Bonacorso ◽  
Marcos Martins ◽  
Nilo Zanatta ◽  
Marli Oliveira ◽  
Alexandre Wentz ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
X Ray Diffraction ◽  
Mo Calculations ◽  
X Ray ◽  
Semiempirical Mo Calculations

Molecular Structure of Heterocycles: 2#NMR Spectroscopy, X- ray Diffraction, and Semiempirical MO Calculations of 5-Bromo-4, 6-dimethoxy-4-trichloromethyl-hexahydropyrimidin-2-one.

1998 ◽  
Vol 31 (6) ◽  
pp. 1125-1139 ◽  
Author(s):  
Marcos A. P. Martins ◽  
Nilo Zanatta ◽  
Iraci L. Pacholski ◽  
Hélio G. Bonacorso ◽  
Manfredo Hömer ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
X Ray Diffraction ◽  
Mo Calculations ◽  
X Ray ◽  
Semiempirical Mo Calculations

Molecular Structure of Heterocycles: NMR Spectroscopy, Semiempirical MO Calculations and X-Ray Diffraction of 3,3a,4,5,6,7-Hexahydro-3-trichloromethyl[2,1]benzoisoxazole

1997 ◽  
Vol 30 (4) ◽  
pp. 661-675 ◽  
Author(s):  
Marcos A. P. Martins ◽  
Alex F. C. Flores ◽  
Rogério A. Freitag ◽  
Nilo Zanatta ◽  
Manfredo Hörner ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
X Ray Diffraction ◽  
Mo Calculations ◽  
X Ray ◽  
Semiempirical Mo Calculations

A study of the crystal and molecular structure of BeCl2(NCCH3)2 by x-ray diffraction and MO calculations

1975 ◽  
Vol 14 ◽  
pp. 281-290 ◽  
Author(s):  
C. Chavant ◽  
J.C. Daran ◽  
Y. Jeannin ◽  
G. Kauffmann ◽  
J. MacCordick
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Mo Calculations ◽  
X Ray

Amido-tert-butylimido-vanadium(V)-Verbindungen. Darstellung, Reaktionen und 51V-NMR-spektroskopische Untersuchungen / Amido-tert-butylimidovanadium(V) Compounds. Synthesis, Reactions and 51V NMR Spectroscopic Studies

2001 ◽  
Vol 56 (11) ◽  
pp. 1100-1108 ◽  
Author(s):  
Fritz Preuss ◽  
Monika Vogel ◽  
Uwe Fischbeck ◽  
Jens Pemer ◽  
Gerhard Overhoff ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
Spectroscopic Studies ◽  
Binuclear Complexes ◽  
X Ray Diffraction ◽  
X Ray ◽  
51V Nmr ◽  
Synthesis Reactions

The reactions of tBuN = VCl2 · DME with LiX (X = NHtBu, NR2, OSiPh3, SR, Alkyl, Cp) have been studied. LiNHtBu and LiCH3 furnish the binuclear diamagnetic tert-butylimido-vanadium( IV) compounds [(μ-NtBu)2V2X4]; in all other cases only the vanadium(V) compounds tBuN=VX3 and tBuN=VCpCl2 formed by disproportionation reactions of vanadium(IV) can be isolated. The syntheses of various mononuclear amido tert-butylimido-vanadium(V) complexes as well as of the binuclear complexes [μ-NtBu)2V2(NtBu)2Cl2] and [(μ-0)V2(NtBu)2Cp2Cl2] are also described. All compounds obtained have been characterized by 51V NMR spectroscopy. tBuN=V(OMe)3 was investigated by X-ray diffraction analysis; the molecular structure has been found to be that of a binuclear vanadium(V) complex with two bridging methoxo ligands.

scholarly journals 6,6′-Dimethyl-1,1′,5,5′-tetraaza-6,6′-bi(bicyclo[3.1.0]hexane): synthesis and investigation of molecular structure by quantum-chemical calculations, NMR spectroscopy and X-ray diffraction analysis

2021 ◽  
Author(s):  
Inna Nikolaevna Kolesnikova ◽  
Vladimir Vladimirovich Kuznetsov ◽  
Alexander Sergeevich Goloveshkin ◽  
Nikolai Andreevich Chegodaev ◽  
Nina Nikolaevna Makhova ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
X Ray Diffraction ◽  
X Ray

Synthesis and molecular structure of [Rh(η5-C5H5)(coe)(PtBu2H)] (coe=cis-cyclooctene)

2019 ◽  
Vol 74 (5) ◽  
pp. 455-457 ◽  
Author(s):  
Hans-Christian Böttcher ◽  
Peter Mayer ◽  
Daniel Beck
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Single Crystals ◽  
Structural Characterization ◽  
Title Compound ◽  
Good Yield ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe synthesis and structural characterization of the new olefinic complex [Rh(η5-C5H5)(coe)(PtBu2H)] (2, coe = cis-cyclooctene) is reported. The title compound was easily prepared in good yield by a thermolytic approach using [Rh(η5-C5H5)(coe)2] (1) and the secondary phosphane in toluene under reflux conditions. The compound 2 has been characterized by NMR spectroscopy and microanalysis. Single crystals of 2 were grown from n-hexane and the molecular structure has been established by X-ray diffraction.

Alkynylsilanes and Alkynyl(vinyl)silanes. Synthesis,Molecular Structures and Multinuclear Magnetic Resonance Study

2010 ◽  
Vol 65 (6) ◽  
pp. 725-744 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Stefan Bayer ◽  
Oleg L. Tok ◽  
Elena V. Klimkina ◽  
Wolfgang Milius ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Magnetic Resonance Study ◽  
X Ray ◽  
Nmr Data ◽  
Vinyl Silanes ◽  
Methyl Phenyl

Alkynylsilanes bearing one to four alkynyl groups at silicon, with organyl groups (Me, Ph, Vin), H, Cl at silicon, and with substituents H, nBu, tBu, Ph, C6H4-4-Me, 3-thienyl, CH2NMe2 at the C≡C bond, were prepared, and their 13C and 29Si NMR data are reported. The results of X-ray structure analyses of three representative derivatives [di(phenylethynyl)dimethylsilane, di(phenylethynyl) methyl(phenyl)silane, and tri(phenylethynyl)methylsilane] are presented. The chemistry of mono- and dialkynylsilanes was further developed to prepare compounds with alternating Si atoms and C≡C bonds, affording new dialkynylsilanes as well as numerous new vinylsilanes which have also been characterized by 13C and 29Si NMR spectroscopy in solution. In the case of ethynyl(triphenylsilylethynyl) dimethylsilane, the molecular structure was determined by X-ray diffraction.

Sign in / Sign up

Export Citation Format

Share Document