Automated Structure Determination from NMR Spectra

2018 ◽  
pp. 401-418
Author(s):  
Sina Kazemi ◽  
Julia Maren Würz ◽  
Elena Schmidt ◽  
Anurag Bagaria ◽  
Peter Güntert
Keyword(s):  
Structure Determination ◽  
Nmr Spectra ◽  
Automated Structure Determination

Automated Structure Determination from NMR Spectra

2017 ◽  
pp. 1-18
Author(s):  
Sina Kazemi ◽  
Julia Maren Würz ◽  
Elena Schmidt ◽  
Anurag Bagaria ◽  
Peter Güntert
Keyword(s):  
Structure Determination ◽  
Nmr Spectra ◽  
Automated Structure Determination

Total assignment of 1H and 13C NMR spectra of marchantins isolated from liverworts and its application to structure determination of two new macrocyclic bis(bibenzyls) from and

1985 ◽  
Vol 26 (39) ◽  
pp. 4735-4738 ◽  
Author(s):  
Motoo Tori ◽  
Masao Toyota ◽  
Leslie J. Harrison ◽  
Keiko Takikawa ◽  
Yoshinori Asakawa
Keyword(s):  
13C Nmr ◽  
Structure Determination ◽  
Nmr Spectra ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr

Direct and indirect recording of tungsten-183 NMR spectra, and structure determination of (diene)3M (M = tungsten, molybdenum) compounds in solution

1987 ◽  
Vol 6 (5) ◽  
pp. 938-942 ◽  
Author(s):  
Reinhard. Benn ◽  
Christian. Brevard ◽  
Anna. Rufinska ◽  
Gerhard. Schroth
Keyword(s):  
Structure Determination ◽  
Nmr Spectra

scholarly journals Darstellung und Charakterisiening der Spezies R-C7H7Mo(CO)3 und die Röntgenstrukturanalyse von / Synthesis and Characterisation of the Species R-C7H7Mo(CO)3 and the X-ray Structure Determination of

1978 ◽  
Vol 33 (4) ◽  
pp. 361-365 ◽  
Author(s):  
Margret Sommer ◽  
Klaus Weidenhammer ◽  
Henning Wienand ◽  
Manfred L. Ziegler
Keyword(s):  
Carbon Atom ◽  
Structure Determination ◽  
Nmr Spectra ◽  
X Ray ◽  
Ethyl Group ◽  
H Nmr

The species R−C7H7Mo(CO)3 (R=−CH2COCH3,−CH(CH3)COCH3,−CH(CH)(CH3)2COCH3) have been synthesized by electrolysing [η7-C7H7Mo(CO)3]+, η7-C7H7Mo(CO)2Br and the dimers [C7H7Mo(CO)3]2 and (C7H7)2Mo(CO)3, respectively, in suitable ketones and HBr. 1H NMR spectra and the X-ray structure determination of (CH3−CO−CH(CH3)−C7H7)Mo(CO)3 revealed the CH3−CO−CH(CH3)-group being bonded to the cycloheptatriene ligand via the α-carbon atom of the ethyl group.

Hydrolysis of Zirconium Propoxide by an Esterification Reaction

1992 ◽  
Vol 271 ◽  
Author(s):  
I. Laaziz ◽  
A. Larbot ◽  
C. Guizard ◽  
A. Julbe ◽  
L. Cot
Keyword(s):  
Acetic Acid ◽  
Light Scattering ◽  
Crystalline Structure ◽  
Structure Determination ◽  
Nmr Spectra ◽  
Esterification Reaction ◽  
Zirconium Propoxide ◽  
Size Growth ◽  
Hydrolysis Of

ABSTRACTZirconium propoxide hydrolysis was performed with the help of an esterification reaction using acetic acid. Products, obtained according to the value of hydrolysis ratio, are successively crystals, sols and gels or precipitates. The similarity of FUR and NMR spectra for crystals and gels allows to think that the arrangements of ligands around the zirconium atoms are close. The crystalline structure determination permits to precise the environment : acetate groups are always bridging and propoxy groups can be bridging or terminal. Clusters containing 9 zirconium atoms, bridged by oxygen atoms, exist in the structure. The colloid size growth was performed by light scattering. A discussion of the role of acetic acid and the competition between the possible reactions is given.

Automated structure determination of proteins with the SAIL-FLYA NMR method

2007 ◽  
Vol 2 (11) ◽  
pp. 2896-2902 ◽  
Author(s):  
Mitsuhiro Takeda ◽  
Teppei Ikeya ◽  
Peter Güntert ◽  
Masatsune Kainosho
Keyword(s):  
Structure Determination ◽  
Nmr Method ◽  
Automated Structure Determination
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