Distal and proximal ligand interactions in heme proteins: correlations between carbon-oxygen and iron-carbon vibrational frequencies, oxygen-17 and carbon-13 nuclear magnetic resonance chemical shifts, and oxygen-17 nuclear quadrupole coupling constants in [C17O-] and [13CO]-labeled species

Biochemistry ◽  
1991 ◽  
Vol 30 (9) ◽  
pp. 2333-2347 ◽  
Author(s):  
Ki Deok Park ◽  
Kermin Guo ◽  
Foluso Adebodun ◽  
Mark L. Chiu ◽  
Stephen G. Sligar ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Heme Proteins ◽  
Chemical Shifts ◽  
Vibrational Frequencies ◽  
Coupling Constants ◽  
Quadrupole Coupling ◽  
Ligand Interactions ◽  
Nuclear Quadrupole ◽  
Nuclear Magnetic

Quadrupoleffekte der magnetischen Kernresonanz an 11B in Bor-Stickstoffverbindungen

1969 ◽  
Vol 24 (4) ◽  
pp. 566-572 ◽  
Author(s):  
Klaus Wiedemann ◽  
Jürgen Voitländer
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Quadrupole Interaction ◽  
Second Order ◽  
Coupling Constants ◽  
Quadrupole Coupling ◽  
Wide Line ◽  
Nuclear Quadrupole ◽  
Asymmetry Parameters ◽  
Nuclear Magnetic

Abstract First and second-order quadrupole effects of the 11B nuclear magnetic resonance have been measured in polycrystalline samples of dimere dimethylaminoboranes and tetramethylboracene. With the theory of powder patterns for first and second-order quadrupole interaction the nuclear quadrupole coupling constants e2 q Q/h and asymmetry parameters η of 11B have been determined. For these measurements boron-free inserts had to be constructed for the probes of the Varian Wide Line Spectrometer DA 60.

Studies of specifically fluorinated carbohydrates. Part I. Nuclear magnetic resonance studies of hexopyranosyl fluoride derivatives

1969 ◽  
Vol 47 (1) ◽  
pp. 1-17 ◽  
Author(s):  
L. D. Hall ◽  
J. F. Manville ◽  
N. S. Bhacca
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Angular Dependence ◽  
Chemical Shifts ◽  
Relative Orientation ◽  
Coupling Constants ◽  
Pyranose Ring ◽  
Spectral Parameters ◽  
Magnetic Resonance Studies ◽  
Nuclear Magnetic

A detailed study has been made of both the 1H and 19F nuclear magnetic resonance (n.m.r.) spectra of a series of hexopyranosyl fluoride derivatives. Some of the 1H spectra were measured at 220 MHz. The 1H spectral parameters define both the configuration and the conformation of each of these derivatives. Study of the 19F n.m.r. parameters revealed several stereospecific dependencies. The 19F chemical shifts depend upon, (a) the orientation of the fluorine substituent with respect to the pyranose ring and, (b) the relative orientation of other substituents attached to the ring; for acetoxy substituents, these configurational dependencies appear to be additive. The vicinal19F–1H coupling constants exhibit a marked angular dependence for which Jtrans = ca. 24 Hz whilst Jgauche = 1.0 to 1.5 Hz for [Formula: see text] and 7.5 to 12.6 Hz for [Formula: see text] The geminal19F–1H couplings depend on the orientation of the substituent at C-2; when this substituent is equatorial JF,H is ca. 53.5 Hz and when it is axial the value is ca. 49 Hz.

Studies of specifically fluorinated carbohydrates. Part II. Nuclear magnetic resonance studies of pentopyranosyl fluoride derivatives

1969 ◽  
Vol 47 (1) ◽  
pp. 19-30 ◽  
Author(s):  
L. D. Hall ◽  
J. F. Manville
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Magnetic Resonance Spectroscopy ◽  
Nuclear Magnetic Resonance Spectroscopy ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Resonance Spectroscopy ◽  
Magnetic Resonance Studies ◽  
Conformational Model ◽  
Nuclear Magnetic

Detailed studies, by 1H and 19F nuclear magnetic resonance spectroscopy, of a series of fully esterified pentopyranosyl fluorides, show that all such derivatives favor that conformer in which the fluorine substituent is axially oriented. This conclusion is supported by separate considerations of the vicinal and geminal19F–1H and 1H–1H coupling constants, of the long-range (4J) 1H–1H and 19F–1H coupling constants and of the 19F chemical shifts. The limitations of the above conformational model are discussed.

scholarly journals Kernresonanz-Untersuchunghen von 1.2.3-Selenadiazolen/ Nuclear Magnetic Resonance of 1,2,3-Selenadiazoles

1981 ◽  
Vol 36 (8) ◽  
pp. 1017-1022 ◽  
Author(s):  
Herbert Meier ◽  
Johannes Zountsas ◽  
Oswald Zimmer
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Spectroscopical Study ◽  
C Nmr ◽  
Nuclear Magnetic

Abstract A 1H and 13C NMR spectroscopical study is performed on the basis of 37 1,2,3-selena-diazoles. Besides the discussion of chemical shifts and coupling constants of 1H and 13C, selenium satellites were measured providing 1H77 Se and 13C77 Se coupling constants.

PREFERRED RESIDENCE CONFORMATIONS OF DIASTEREOISOMERIC α–β AMINO ALCOHOLS: AN N.M.R. STUDY OF THE EPHEDRINES

1961 ◽  
Vol 39 (12) ◽  
pp. 2536-2542 ◽  
Author(s):  
J. B. Hyne
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Amino Alcohols ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Nuclear Magnetic

Nuclear magnetic resonance spectral results including chemical shifts, anisotropy effects, spin coupling constants, and hydrogen bonding phenomena are presented for the diastereoisomeric pair of α–β amino alcohols (−)-ephedrine and (+)-Ψ-ephedrine. The results are shown to be in keeping with the existence of a preferred residence conformation for each of the diastereoisomers.

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