scholarly journals Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions

ACS Omega ◽  
2018 ◽  
Vol 3 (8) ◽  
pp. 9075-9085 ◽  
Author(s):  
André F. Rodrigues-Oliveira ◽  
Francisco W. M. Ribeiro ◽  
Gustavo Cervi ◽  
Thiago C. Correra
Keyword(s):  
Vibrational Spectra ◽  
Theoretical Methods ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonded

Vibrational Spectra of Atmospherically Relevant Hydrogen-Bonded MSA···(H2SO4)n (n = 1–3) Clusters

2021 ◽  
Vol 125 (40) ◽  
pp. 8791-8802
Author(s):  
Douglas de Souza Gonçalves ◽  
Angsula Ghosh ◽  
Puspitapallab Chaudhuri
Keyword(s):  
Vibrational Spectra ◽  
Atmospherically Relevant ◽  
Hydrogen Bonded

Photoelectron studies on intramolecularly hydrogen-bonded systems. I. The photoelectron spectra of cis- and trans-2-aminocyclopentanol, and cis- and trans-2-(N,N-dimethylamino)cyclopentanol

1976 ◽  
Vol 54 (4) ◽  
pp. 642-646 ◽  
Author(s):  
R. S. Brown
Keyword(s):  
Hydrogen Bonding ◽  
Ionization Energy ◽  
Lone Pair ◽  
Intramolecular Hydrogen Bonding ◽  
Photoelectron Spectra ◽  
Hydrogen Bonded Systems ◽  
Intramolecular Hydrogen ◽  
Cis And Trans ◽  
Infrared Data ◽  
Hydrogen Bonded

The photoelectron spectra of cis- and trans-2-aminocyclopentanol and cis- and trans-2-(N,N,-dimethylamino)cyclopentanol have been recorded and interpreted. The cis isomers exhibit N lone pair ionizations at higher ionization energy, and O lone pair ionizations at lower ionization energy than their trans isomers.The results are most consistent with the existence and observation of intramolecular hydrogen-bonding in the cis isomers. Infrared data on these systems also show that the cis isomers exist in the intramolecularly hydrogen-bonded state.

Dynamic and Static Quantum Mechanical Studies of Vibrational Spectra of Hydrogen‐Bonded Crystals

2019 ◽  
pp. 327-352
Author(s):  
Mateusz Z. Brela ◽  
Marek Boczar ◽  
Łukasz Boda ◽  
Marek Janusz Wójcik
Keyword(s):  
Vibrational Spectra ◽  
Quantum Mechanical ◽  
Mechanical Studies ◽  
Hydrogen Bonded

Spectroscopic and theoretical study of vibrational spectra of hydrogen-bonded 2-pyridone

2001 ◽  
Vol 596 (1-3) ◽  
pp. 207-214 ◽  
Author(s):  
Marek J. Wójcik ◽  
Wiktor Tatara ◽  
Marek Boczar ◽  
Anna Apola ◽  
Susumu Ikeda
Keyword(s):  
Vibrational Spectra ◽  
Theoretical Study ◽  
Hydrogen Bonded
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