Nuclear Magnetic Resonance Chemical Shifts and Quadrupole Couplings for Different Hydrogen-Bonding Cases Occurring in Liquid Water:  A Computational Study

2007 ◽  
Vol 111 (1) ◽  
pp. 182-192 ◽  
Author(s):  
Teemu S. Pennanen ◽  
Perttu Lantto ◽  
Atte J. Sillanpää ◽  
Juha Vaara
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Magnetic Resonance ◽  
Liquid Water ◽  
Computational Study ◽  
Chemical Shifts ◽  
Nuclear Magnetic

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.

A nuclear magnetic resonance study of hydrogen bonding of δ-valerolactam

1969 ◽  
Vol 47 (19) ◽  
pp. 3655-3660 ◽  
Author(s):  
J. M. Purcell ◽  
H. Susi ◽  
J. R. Cavanaugh
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Bond Formation ◽  
Resonance Spectroscopy ◽  
Hydrogen Bond Formation ◽  
Wide Range ◽  
Nuclear Magnetic

The association of amide groups of δ-valerolactam through hydrogen bonding has been investigated by means of high resolution nuclear magnetic resonance spectroscopy in CCl4 and CDCl3 solutions. Chemical shifts of the NH proton signal were measured over a wide range of temperatures and concentrations. Thermodynamic properties associated with the [Formula: see text] hydrogen bond formation were evaluated from a least squares analysis by a direct search procedure with a digital computer. The obtained enthalpy values for hydrogen bond formation are in general agreement with results obtained by other methods.

Nuclear magnetic resonance studies of hydrogen bonding in acetylenes containing oxygen functions

1969 ◽  
Vol 47 (13) ◽  
pp. 2473-2477 ◽  
Author(s):  
W. E. Bentz ◽  
L. D. Colebrook
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Carbon Tetrachloride ◽  
Magnetic Resonance ◽  
Infinite Dilution ◽  
Chemical Shifts ◽  
Proton Acceptor ◽  
Acceptor Site ◽  
Magnetic Resonance Studies ◽  
Nuclear Magnetic

Dilution shifts in carbon tetrachloride and cyclohexane solution have been obtained for the terminal acetylenic proton signals in the nuclear magnetic resonance (n.m.r.) spectra of some acetylenes. The presence of an oxygen atom results in a significant increase in the magnitude of the dilution shift, suggesting that oxygen is an important proton acceptor site in these compounds. Steric influences on the dilution shift and differences between the infinite dilution chemical shifts in the two solvents used, have been observed.

Sign in / Sign up

Export Citation Format

Share Document