A correlation involving 1H NMR spectra and exchange coupling constants of a family of phenoxo-bridged macrocyclic dicopper(ii) complexes

2001 ◽  
Vol 25 (11) ◽  
pp. 1466-1471 ◽  
Author(s):  
Sasankasekhar Mohanta ◽  
Bibhutosh Adhikary ◽  
Sujoy Baitalik ◽  
Kamalaksha Nag
Keyword(s):  
1H Nmr ◽  
Exchange Coupling ◽  
Nmr Spectra ◽  
1H Nmr Spectra ◽  
Coupling Constants

Über die Berechnung der 1H-NMR-Spektren linearer Di-aza-acene / On the Calculation of 1H-NMR-Spectra of Linear Di-aza-acenes

1972 ◽  
Vol 27 (10) ◽  
pp. 1164-1165 ◽  
Author(s):  
G. Ege ◽  
H. Vogler
Keyword(s):  
1H Nmr ◽  
Nmr Spectra ◽  
1H Nmr Spectra ◽  
Coupling Constants

It is shown, that the calculation of chemical proton shifts and coupling constants of linear di-aza-acenes within the framework of HMO-theory gives values close to experimental ones.

15N, 13C, and 1H NMR spectra of acylated ureas and thioureas

1987 ◽  
Vol 52 (10) ◽  
pp. 2474-2481 ◽  
Author(s):  
Josef Jirman ◽  
Antonín Lyčka
Keyword(s):  
1H Nmr ◽  
Electron Acceptor ◽  
Sulfur Atom ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
1H Nmr Spectra ◽  
Coupling Constants ◽  
Nmr Chemical Shifts ◽  
H Nmr ◽  
Better Than

A series of 1-acylated and 1,3-diacylated (acyl = acetyl or benzoyl) ureas and thioureas have been prepared and their proton-coupled and proton-decoupled 15N, 13C, and 1H NMR spectra have been measured. All the signals have been assigned. The 15N NMR chemical shifts in 1-acylated ureas and thioureas are shifted downfield as compared with δ(15N) of urea and thiourea, resp. This shift is greater for N-1 than for N-3 nitrogen atoms in both the series. When comparing acylureas and acylthioureas it is obvious from the Δδ(15N) differences that the CS group is better than CO group in transferring the electron-acceptor effect of acyl group. The proton-coupled 15N NMR spectra of the acylureas dissolved in hexadeuteriodimethyl sulphoxide exhibit a doublet of NH group and a triplet of NH2 group at 25 °C. At the same conditions the acylthioureas exhibit a doublet of NH group, the NH2 group signal being split into a doublet of doublets with different coupling constants 1J(15N, H). The greater one of these coupling constants is due to the s-trans proton with respect to the sulfur atom of the thiourea.

scholarly journals Diagnostically analyzing 1H NMR spectra of sub-types in chaetoglobosins for dereplication

RSC Advances ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 1946-1955 ◽  
Author(s):  
Chen Lin ◽  
Jian-chun Qin ◽  
Yong-gang Zhang ◽  
Gang Ding
Keyword(s):  
Chemical Shift ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Diagnostic Information ◽  
1H Nmr Spectra ◽  
Coupling Constants ◽  
H Nmr

1H-NMR spectra provide abundant diagnostic information including chemical shift values, splitting patterns, coupling constants, and integrals.

The Electron Effect of Aromatic Group: Control Conformation of 2-Aromatic Cyclododecanone Derivatives

2020 ◽  
Vol 24 (10) ◽  
pp. 1139-1147
Author(s):  
Yang Mingyan ◽  
Wang Daoquan ◽  
Wang Mingan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
The Other ◽  
Repulsive Interaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electron Effect ◽  
Group Control

2-Phenylcyclododecanone and 2-cyclohexylcyclododecanone derivatives were synthesized and characterized by 1H NMR, 13C NMR, HR-ESI-MS and X-ray diffraction. Their preferred conformations were analyzed by the coupling constants in the 1H NMR spectra and X-ray diffraction, which showed the skeleton ring of these derivatives containing [3333]-2-one conformation, and the phenyl groups were located at the side-exo position of [3333]-2-one conformation due to the strong π-π repulsive interaction between the π- electron of benzene ring and π-electron of carbonyl group. The cyclohexyl groups were located at the corner-syn or the side-exo position of [3333]-2-one conformation depending on the hindrance of the other substituted groups. The π-π electron effect played a crucial role in efficiently controlling the preferred conformation of 2-aromatic cyclododecanone and the other 2-aromatic macrocyclic derivatives with the similar preferred square and rectangular conformations.

1H-NMR spectra of high-boiling adamantylaromatic compounds

1978 ◽  
Vol 43 (1) ◽  
pp. 250-256
Author(s):  
Jaroslava Podehradská ◽  
Milan Hájek ◽  
Slavoj Hála
Keyword(s):  
1H Nmr ◽  
Nmr Spectra ◽  
1H Nmr Spectra
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