Proton chemical shifts in some hydrogen bonded solids and a correlation with bond lengths

1989 ◽  
Vol 91 (12) ◽  
pp. 7387-7391 ◽  
Author(s):  
R. Kaliaperumal ◽  
R. E. J. Sears ◽  
Q. W. Ni ◽  
J. E. Furst
Keyword(s):  
Chemical Shifts ◽  
Bond Lengths ◽  
Proton Chemical Shifts ◽  
Hydrogen Bonded

Cyclic trimers of phosphinic acids in polar aprotic solvent: symmetry, chirality and H/D isotope effects on NMR chemical shifts

2018 ◽  
Vol 20 (7) ◽  
pp. 4901-4910 ◽  
Author(s):  
V. V. Mulloyarova ◽  
I. S. Giba ◽  
M. A. Kostin ◽  
G. S. Denisov ◽  
I. G. Shenderovich ◽  
...  
Keyword(s):  
Aprotic Solvent ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Nmr Chemical Shifts ◽  
Polar Aprotic Solvent ◽  
Phosphinic Acids ◽  
Proton Chemical Shifts ◽  
Bonded Complexes ◽  
Hydrogen Bonded

By using NMR in liquefied gases, the stoichiometry of hydrogen-bonded complexes is determined via H/D isotope effects on proton chemical shifts.

scholarly journals Theoretical study on the proton chemical shifts of hydrogen bonded nucleic acid bases

1977 ◽  
Vol 4 (1) ◽  
pp. 99-116 ◽  
Author(s):  
Claude Giessner-Prettre ◽  
Bernard Pullman ◽  
Jacqueline Caillet
Keyword(s):  
Nucleic Acid ◽  
Theoretical Study ◽  
Chemical Shifts ◽  
Nucleic Acid Bases ◽  
Proton Chemical Shifts ◽  
Hydrogen Bonded

Accurate ab initio calculations of O–H⋯O and O–H⋯−O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen bond distances

2015 ◽  
Vol 13 (33) ◽  
pp. 8852-8868 ◽  
Author(s):  
Michael G. Siskos ◽  
Andreas G. Tzakos ◽  
Ioannis P. Gerothanassis
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Chemical Shifts ◽  
Bond Lengths ◽  
Sensitive Measure ◽  
Proton Chemical Shifts

Ab initio calculations of O–H⋯O and O–H⋯−O 1H chemical shifts provide accurate electronic description of hydrogen bonding and sensitive measure of hydrogen bond lengths.

The alternation of bond lengths in large conjugated molecules. III. The cyclic polyenes C 18 H 18 , C 24 H 24 and C 30 H 30

1960 ◽  
Vol 257 (1291) ◽  
pp. 445-456 ◽  
Keyword(s):  
Theoretical Study ◽  
Chemical Shifts ◽  
Ultra Violet ◽  
Conjugated Molecules ◽  
Bond Lengths ◽  
Bond Alternation ◽  
Cyclic Polyenes ◽  
C 30 ◽  
Proton Chemical Shifts ◽  
H 30

A theoretical study of the observed visible and ultra-violet spectra of C 18 H 18 , C 24 H 24 and C 30 H 30 indicates strongly that in these molecules the C—C bonds alternate in length. It is shown, furthermore, that the diamagnetic anisotropies and proton chemical shifts should indicate very sensitively the extent of bond alternation; as yet no measurements on these properties are available.

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