Infrared spectra and hydrogen bonding of monoalkali salts of malonic acid and their dialkyl derivatives

1976 ◽  
Vol 72 ◽  
pp. 2191 ◽  
Author(s):  
A. A. Belhekar ◽  
C. I. Jose
Keyword(s):  
Hydrogen Bonding ◽  
Malonic Acid ◽  
Infrared Spectra

Hydrogen bonding and conformation in cis- and trans-2-alkoxy-3-hydroxytetrahydrofurans

1968 ◽  
Vol 46 (1) ◽  
pp. 21-24 ◽  
Author(s):  
W. W. Zajac Jr. ◽  
F. Sweet ◽  
R. K. Brown
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectra ◽  
Hydroxyl Absorption ◽  
Cis And Trans ◽  
In Cis ◽  
Infrared Data ◽  
Hydrogen Bonded

Infrared spectra show both free and hydrogen bonded hydroxyl absorption in several trans-2-alkoxy-3-hydroxytetrahydrofurans. The extent of non-bonded hydroxyl is greater than that of bonded hydroxyl. Suggestions are made of possible conformations which might account for the infrared data.

Infrared spectra and hydrogen bonding of pentitols and pyranosides at 20 to 300 K

2000 ◽  
Vol 328 (3) ◽  
pp. 307-319 ◽  
Author(s):  
Mark Rozenberg ◽  
Aharon Loewenschuss ◽  
Yizhak Marcus
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectra

Hydrogen bonding in the gas phase: the thermodynamic properties of hydrogen fluoride-ether complexes and their far infrared spectra

1971 ◽  
Vol 322 (1548) ◽  
pp. 137-146 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Infrared Spectra ◽  
Equilibrium Constants ◽  
Far Infrared ◽  
Methyl Ethyl ◽  
Rotational Contour ◽  
Stretching Vibration ◽  
Conformational Rearrangements ◽  
Far Infrared Spectra

The equilibrium constants of gas-phase complexes of HF with dimethyl, methyl ethyl and diethyl ether have been measured at several temperatures using the Benesi-Hildebrand approximation on the absorption band of the HF stretching vibration in the complex. From these, values of Δ H of — 43, — 38 and — 30 kJ mol -1 respectively, have been determined. They are interpreted in terms of conformational rearrangements of the ethers when they form hydrogen bonds. The far infrared spectra of the complexes with both HF and DF have also been recorded and in each case a band observed at around 180 cm -1 which is assigned to the intermolecular stretching mode of vibration. For the complex between HF and dimethyl ether a rotational contour has been observed at about 10 cm -1 .

X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of DL- and L-arginine

2002 ◽  
Vol 58 (6) ◽  
pp. 1051-1056 ◽  
Author(s):  
N. T. Saraswathi ◽  
M. Vijayan
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Amino Acid ◽  
Crystal Structures ◽  
Malonic Acid ◽  
Conformational Flexibility ◽  
X Ray ◽  
Conformational Variability ◽  
Aggregation Pattern ◽  
Positively Charged

The crystal structures of the complexes of malonic acid with DL- and L-arginine, which contain positively charged argininium ions and negatively charged semimalonate ions, further demonstrate the conformational flexibility of amino acids. A larger proportion of folded conformations than would be expected on the basis of steric consideration appears to occur in arginine, presumably because of the requirements of hydrogen bonding. The aggregation pattern in the DL-arginine complex bears varying degrees of resemblance to patterns observed in other similar structures. An antiparallel hydrogen-bonded dimeric arrangement of arginine, and to a lesser extent lysine, is a recurring motif. Similarities also exist among the structures in the interactions with this motif and its assembly into larger features of aggregation. However, the aggregation pattern observed in the L-arginine complex differs from any observed so far, which demonstrates that all the general patterns of amino-acid aggregation have not yet been elucidated. The two complexes represent cases where the reversal of the chirality of half the amino-acid molecules leads to a fundamentally different aggregation pattern.

scholarly journals The infrared spectra of protic ionic liquids: performances of different computational models to predict hydrogen bonds and conformer evolution

2020 ◽  
Vol 22 (14) ◽  
pp. 7497-7506 ◽  
Author(s):  
O. Palumbo ◽  
A. Cimini ◽  
F. Trequattrini ◽  
J.-B. Brubach ◽  
P. Roy ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Dft Calculations ◽  
Infrared Spectra ◽  
Computational Models ◽  
Far Infrared ◽  
Protic Ionic Liquids ◽  
Far Infrared Spectra

DFT calculations with the ωB97-D functional reproduce hydrogen bonding features of the far-infrared spectra of diethylmethylammonium methanesulfonate and diethylmethylammonium trifluoromethanesulfonate.

Hydrogen-Bonding Effects on Infrared Spectra from Anharmonic Computations: Uracil–Water Complexes and Uracil Dimers

2015 ◽  
Vol 119 (18) ◽  
pp. 4224-4236 ◽  
Author(s):  
Teresa Fornaro ◽  
Diletta Burini ◽  
Malgorzata Biczysko ◽  
Vincenzo Barone
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectra

Low-temperature infrared studies of some acid–base reactions

1983 ◽  
Vol 61 (9) ◽  
pp. 2077-2088 ◽  
Author(s):  
Theresa Huston ◽  
I. C. Hisatsune ◽  
Julian Heicklen
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Low Temperature ◽  
Infrared Spectra ◽  
Acid Base ◽  
Reaction Systems ◽  
Solid States ◽  
Infrared Studies

Low-temperature infrared spectroscopy has been used to examine the systems NH3 + H2O, NH3 + HCl, H2O + HCl, NH3 + HNO3, and NH2OH + HNO3. Hydrogen-bonding in the solid states greatly reduces the reactivities in these systems. Temperatures where reactions initiated in the systems NH3(s) + HCl(g), HNO3(s) + NH3(g), H2O(s) + HCl(g), and NH2OH(s) + HNO3(s) were, respectively, −145, −130, −127, and −125 °C. Infrared spectra of 2NH3•H2O, NH3•H2O, NH4Cl•3NH3, NH4NO3•3NH3, NH4NO3•2HNO3, NH2OH2+NO3−, NH3OH+NO3−, H3O+Cl−, H5O2+Cl−, and H5O2+Cl−•H2O have been identified in these reaction systems.

THE STUDY OF HYDROGEN BONDING AND RELATED PHENOMENA BY SPECTROSCOPIC METHODS: PART VIII. THE ULTRAVIOLET AND INFRARED SPECTRA OF SOME 2,4-DINITRODIPHENYLAMINES

1964 ◽  
Vol 42 (12) ◽  
pp. 2674-2683 ◽  
Author(s):  
A. Balasubramanian ◽  
J. B. Capindale ◽  
W. F. Forbes
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Spectral Data ◽  
Intramolecular Hydrogen Bond ◽  
Infrared Spectra ◽  
Positive Charge ◽  
Spectroscopic Methods ◽  
Amino Group ◽  
Strong Type ◽  
Intramolecular Hydrogen

The ultraviolet spectra of a number of 2,4-dinitrodiphenylamines suggest that these compounds are generally non-planar in a number of different solvents. The infrared and ultraviolet spectral data in different solvents also suggest that an intramolecular hydrogen bond is present in these molecules, at least in inert solvents. There is evidence that a p-nitro substituent is necessary to increase the positive charge on the amino group sufficiently to permit it to form this fairly strong type of hydrogen bond.

Infrared spectra and the nature of the hydrogen bonding in solvates of the alkali metal fluorides

1967 ◽  
Vol 8 (2) ◽  
pp. 221-223 ◽  
Author(s):  
T. D. Fedotova ◽  
A. A. Opalovskii ◽  
Z. A. Grankina ◽  
E. V. Sobolev
Keyword(s):  
Hydrogen Bonding ◽  
Alkali Metal ◽  
Infrared Spectra ◽  
Metal Fluorides
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