Intramolecular easily polarizable charged and non-charged hydrogen bonds: IR continua and hydrogen bond length

1981 ◽  
Vol 72 ◽  
pp. 9-15 ◽  
Author(s):  
Bogumil Brzezinski ◽  
Georg Zundel
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Hydrogen Bond Length

Redshift or Adduct Stabilization—A Computational Study of Hydrogen Bonding in Adducts of Protonated Carboxylic Acids

2009 ◽  
Vol 15 (2) ◽  
pp. 239-248 ◽  
Author(s):  
Solveig Gaarn Olesen ◽  
Steen Hammerum
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Bond Strength ◽  
Bond Length ◽  
Carboxylic Acids ◽  
Computational Study ◽  
Proton Affinities ◽  
Oh Groups ◽  
Hydrogen Bond Strength ◽  
Length Changes

It is generally expected that the hydrogen bond strength in a D–H•••A adduct is predicted by the difference between the proton affinities (Δ PA) of D and A, measured by the adduct stabilization, and demonstrated by the infrared (IR) redshift of the D–H bond stretching vibrational frequency. These criteria do not always yield consistent predictions, as illustrated by the hydrogen bonds formed by the E and Z OH groups of protonated carboxylic acids. The Δ PA and the stabilization of a series of hydrogen bonded adducts indicate that the E OH group forms the stronger hydrogen bonds, whereas the bond length changes and the redshift favor the Z OH group, matching the results of NBO and AIM calculations. This reflects that the thermochemistry of adduct formation is not a good measure of the hydrogen bond strength in charged adducts, and that the ionic interactions in the E and Z adducts of protonated carboxylic acids are different. The OH bond length and IR redshift afford the better measure of hydrogen bond strength.

Hydrogen bond length and 15N NMR chemical shift of the glycine residue of some oligopeptides in the solid state

1991 ◽  
Vol 245 (1-2) ◽  
pp. 69-80 ◽  
Author(s):  
Shigeki Kuroki ◽  
Naoki Asakawa ◽  
Shinji Ando ◽  
Isao Ando ◽  
Akira Shoji ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Chemical Shift ◽  
Bond Length ◽  
15N Nmr ◽  
Nmr Chemical Shift ◽  
Glycine Residue ◽  
Hydrogen Bond Length

scholarly journals Aggregation of Molecules in Liquid Ethylene Glycol and Its Manifestation in Experimental Raman Spectra and Non-Empirical Calculations

2020 ◽  
Vol 65 (4) ◽  
pp. 298
Author(s):  
H. Hushvaktov ◽  
A. Jumabaev ◽  
G. Murodov ◽  
A. Absanov ◽  
G. Sharifov
Keyword(s):  
Hydrogen Bond ◽  
Raman Spectroscopy ◽  
Hydrogen Atom ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Ethylene Glycol ◽  
Bond Length ◽  
Raman Spectra ◽  
Intermolecular Hydrogen Bond ◽  
The Other

Intra- and intermolecular interactions in liquid ethylene glycol have been studied using the Raman spectroscopy method and non-empirical calculations. The results of non-empirical calculations show that an intermolecular hydrogen bond is formed between the hydrogen atom of the OH group in one ethylene glycol molecule and the oxygen atom in the other molecule. The formation of this bond gives rise to a substantial redistribution of charges between those atoms, which, nevertheless, insignificantly changes the bond length. In the corresponding Raman spectra, the presence of hydrogen bonds between the ethylene glycol molecules manifests itself as the band asymmetry and splitting.

Hydrogen Bond Length as a Key To Understanding Sweetness

2018 ◽  
Vol 9 (13) ◽  
pp. 3667-3672 ◽  
Author(s):  
F. Bruni ◽  
C. Di Mino ◽  
S. Imberti ◽  
S. E. McLain ◽  
N. H. Rhys ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Bond Length ◽  
Hydrogen Bond Length

scholarly journals (η6-Benzene)dichlorido(chlorodicyclohexylphosphane-κP)ruthenium(II) chloroform monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. m255-m255 ◽  
Author(s):  
Saravanan Gowrisankar ◽  
Helfried Neumann ◽  
Anke Spannenberg ◽  
Matthias Beller
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Title Compound ◽  
Complex Molecule ◽  
Solvent Molecule ◽  
Chair Conformation ◽  
Arene Ligand ◽  
Cl Atoms

The title compound, [RuCl2(η6-C6H6)(C12H22ClP)]·CHCl3, was prepared by reaction of [RuCl2(η6-C6H6)]2with chlorodicyclohexylphosphane in CHCl3at 323 K under argon. The RuIIatom is surrounded by one arene ligand, two Cl atoms and a phosphane ligand in a piano-stool geometry. The phosphane ligand is linked by the P atom, with an Ru—P bond length of 2.3247 (4) Å. Both cyclohexyl rings at the P atom adopt a chair conformation. In the crystal, the RuIIcomplex molecule and the chloroform solvent molecule are linked by a bifurcated C—H...(Cl,Cl) hydrogen bond. Intramolecular C—H...Cl hydrogen bonds are also observed.

Sign in / Sign up

Export Citation Format

Share Document