Investigating Hydrogen Bonding in Phenol Using Infrared Spectroscopy and Computational Chemistry

2014 ◽  
Vol 91 (12) ◽  
pp. 2191-2194 ◽  
Author(s):  
Anna M. Fedor ◽  
Megan J. Toda
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Computational Chemistry

scholarly journals Probing the Hydrogen-Bonding Environment of Individual Bases in DNA Duplexes with Isotope-Edited Infrared Spectroscopy

2021 ◽  
Author(s):  
Robert J. Fick ◽  
Amy Y. Liu ◽  
Felix Nussbaumer ◽  
Christoph Kreutz ◽  
Atul Rangadurai ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Dna Duplexes

Sequential microhydration of cationic 5-hydroxyindole (5HI+): infrared photodissociation spectra of 5HI+–Wn clusters (W = H2O, n ≤ 4)

2018 ◽  
Vol 20 (5) ◽  
pp. 3092-3108 ◽  
Author(s):  
Johanna Klyne ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii ◽  
Otto Dopfer
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Dft Calculations ◽  
Bonding Properties

The hydrogen-bonding properties of the acidic OH and NH groups of the 5-hydroxyindole cation are probed by infrared spectroscopy and DFT calculations of its microhydrated clusters.

Molecular Cocrystals of Carboxylic Acids. XXVI Adducts of the Amino-Substituted Benzoic Acids with Nitroaromatic Lewis Bases: the Influence of Associative Polyfunctional Substituents on Self-Assembly of Molecules in Cocrystallization Processes

1997 ◽  
Vol 50 (10) ◽  
pp. 977 ◽  
Author(s):  
Daniel E. Lynch ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Self Assembly ◽  
Benzoic Acids ◽  
Aminobenzoic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lewis Bases ◽  
Aminobenzoic Acids ◽  
Substituted Benzoic Acids

A series of molecular adducts of the isomeric aminobenzoic acids with the nitro-substituted Lewis bases 2-chloro-5-nitropyridine, 5-nitroquinoline and 5-nitroisoquinoline has been prepared and characterized by using infrared spectroscopy and X-ray powder diffraction, and in four cases by single-crystal X-ray diffraction methods. These four compounds are the adducts of 3-aminobenzoic acid with 5-nitroquinoline [(C7H7NO2)(C9H6N2O2)], 4-aminobenzoic acid with 5-nitroquinoline [(C7H7NO2)2(C9H6N2O2)], 2-aminobenzoic acid with 5-nitroisoquinoline [(C7H7NO2)(C9H6N2O2)] and 4-aminobenzoic acid with 5-nitroisoquinoline [(C7H7N2O2)(C9H6N2O2)]. Other compounds described are the (1 : 1) adducts of 4-aminobenzoic acid with 2-chloro-5-nitropyridine, and 2-aminobenzoic acid with 5-nitroquinoline. All adducts involve hydrogen-bonding network associations while in none of the examples is any proton transfer involved.

Strong proton-shared hydrogen bonding in a methyl imidazole⋯HCl complex: evidence from matrix isolation infrared spectroscopy and ab initio computations

2020 ◽  
Vol 44 (17) ◽  
pp. 7116-7128 ◽  
Author(s):  
Shubhra Sarkar ◽  
P. K. Sruthi ◽  
N. Ramanathan ◽  
K. Sundararajan
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Ab Initio ◽  
Matrix Isolation ◽  
Methyl Imidazole ◽  
Ab Initio Computations

Evidence for proton-shared hydrogen bonding is provided in a methyl imidazole⋯HCl complex using matrix isolation infrared spectroscopy and ab initio computations.

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