Unambiguous structural characterization of hydantoin reaction products using 2D HMBC NMR spectroscopy

Reactions of pentacarbonyl manganate anion with 4-halocrotonate esters or 2-halocarboxylate esters result in a complex set of inorganic and organic products, usually including the expected dienolate (or enolate) complexes. The reaction variables include the counterion, solvent, and halo group. The mechanism of the reaction has been investigated by conducting a thorough characterization of the reaction products under various conditions and also by carrying out model reactions. One can rationalize most of the non-organometallic products using either a radical or carbanion mechanism, but the latter seems to fit the available data better. Experimental procedures for optimizing the yield of the organometallic dienolate or enolate complexes have been worked out. Keywords: pentacarbonyl manganate, metalate nucleophilicity, enolate complex, nucleophilic substitution, 55Mn NMR spectroscopy.

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Structural characterization of polypyrrole in the solid state by high resolution 15N NMR spectroscopy combined with quantum chemistry

Journal of Molecular Structure ◽

10.1016/0022-2860(92)80015-a ◽

1992 ◽

Vol 269 (1-2) ◽

pp. 183-195 ◽

Cited By ~ 25

Author(s):

Mizuyo Kikuchi ◽

Hiromichi Kurosu ◽

Isao Ando

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

High Resolution ◽

Quantum Chemistry ◽

Structural Characterization ◽

15N Nmr ◽

15N Nmr Spectroscopy

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Structural Characterization of Zeolites by High Resolution Magic-Angle-Spinning Solid State 29Si-NMR Spectroscopy

Zeolites: Science and Technology ◽

10.1007/978-94-009-6128-9_7 ◽

1984 ◽

pp. 193-210 ◽

Cited By ~ 5

Author(s):

Zelimir Gabelica ◽

Janos B. Nagy ◽

Philippe Bodart ◽

Guy Debras ◽

Eric G. Derouane ◽

...

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

High Resolution ◽

Structural Characterization ◽

Magic Angle Spinning ◽

Magic Angle ◽

29Si Nmr ◽

Angle Spinning ◽

29Si Nmr Spectroscopy

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Structural Characterization of Antimicrobial Peptides by NMR Spectroscopy

Modern Magnetic Resonance ◽

10.1007/1-4020-3910-7_143 ◽

2008 ◽

pp. 1315-1323 ◽

Cited By ~ 1

Author(s):

Leonard T. Nguyen ◽

Elmar J. Prenner ◽

Hans J. Vogel

Keyword(s):

Nmr Spectroscopy ◽

Antimicrobial Peptides ◽

Structural Characterization

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Structural characterization of the Brooker’s merocyanine/β-cyclodextrin complex using NMR spectroscopy and molecular modeling

Journal of Molecular Structure ◽

10.1016/j.molstruc.2009.11.034 ◽

2010 ◽

Vol 965 (1-3) ◽

pp. 31-38 ◽

Cited By ~ 28

Author(s):

Jennifer S. Holt

Keyword(s):

Molecular Modeling ◽

Nmr Spectroscopy ◽

Structural Characterization ◽

Cyclodextrin Complex ◽

Brooker’S Merocyanine

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Structural characterization of ionomer glasses by multinuclear solid state MAS-NMR spectroscopy

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2006.12.001 ◽

2007 ◽

Vol 353 (3) ◽

pp. 237-243 ◽

Cited By ~ 30

Author(s):

Shigeki Matsuya ◽

Artemis Stamboulis ◽

Robert G. Hill ◽

Robert V. Law

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

Structural Characterization ◽

Mas Nmr

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Magneto-Structural Characterization of Metallocene-Bridged Nitronyl Nitroxide Diradicals by X-Ray, Magnetic Measurements, Solid-state NMR Spectroscopy, and Ab Initio Calculations

Chemistry - A European Journal ◽

10.1002/chem.200490048 ◽

2004 ◽

Vol 10 (14) ◽

pp. 3354-3354

Author(s):

Christian Sporer ◽

Henrike Heise ◽

Klaus Wurst ◽

Daniel Ruiz-Molina ◽

Holger Kopacka ◽

...

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Characterization ◽

Solid State Nmr ◽

Magnetic Measurements ◽

Nitronyl Nitroxide ◽

X Ray

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Structural Characterization of the Reaction Products of Vanadium(II) and Endrin as 2 Isomers of 1,8,exo-9,10,11-Pentachloropentacyclo[6.2.1.13,6.02,7.04,10]dodecan-5-one

Australian Journal of Chemistry ◽

10.1071/ch9890959 ◽

1989 ◽

Vol 42 (6) ◽

pp. 959

Author(s):

DE Clegg ◽

PC Healy ◽

GJ Patch ◽

BW Skelton ◽

AH White

Keyword(s):

Single Crystal ◽

Structural Characterization ◽

Structure Determination ◽

Title Compound ◽

Reaction Products ◽

X Ray

Two dechlorinated products (B) and (D), formed in the reaction between endrin (C12H8Cl6O) and vanadium(II) for the purpose of confirmation of identity, are shown by single-crystal X-ray structure determination to be isomers of the title compound, C12H9Cl5O. Crystals of both are monoclinic, P21/c. For isomer (B), a 7.432(8), b 12.76(1), c 14.55(2) � , β 108.32(9)�, Z=4; R was 0.038 for 2594 observed reflections. For isomer (D), a 9.037(4), b 12.004(4), c 14.436(6) � , β 124.91(2)°, Z= 4; R was 0.041 for 1826 reflections. The geometries of the two isomers are compared.

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