Cargando…

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

[Image: see text] Infrared photodissociation analyses are supported by theoretical calculations that allow a trustworthy interpretation of experimental spectra of gaseous ions. B3LYP calculations are the most prominent method used to model IR spectra, as detailed in our bibliographic survey. However...

Descripción completa

Detalles Bibliográficos
Autores principales:	Rodrigues-Oliveira, André F., M. Ribeiro, Francisco W., Cervi, Gustavo, C. Correra, Thiago
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644661/ https://www.ncbi.nlm.nih.gov/pubmed/31459042 http://dx.doi.org/10.1021/acsomega.8b00815

Ejemplares similares

Some Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen Bonding
por: Sobczyk, Lucjan, et al.
Publicado: (2016)

Investigations of the Hydrogen Bonds and Vibrational Spectra of Clathrate Ice XVI
por: Wang, Ze-Ren, et al.
Publicado: (2019)

Combined Infrared Multiphoton Dissociation with Ultraviolet Photodissociation for Ubiquitin Characterization
por: Halim, Mohammad A., et al.
Publicado: (2016)

Intramolecular Hydrogen Bonding 2021
por: Jabłoński, Mirosław
Publicado: (2021)

Theoretical Study of Intramolecular Interactions in Peri-Substituted Naphthalenes: Chalcogen and Hydrogen Bonds
por: Sánchez–Sanz, Goar, et al.
Publicado: (2017)

NH Stretching Frequencies of Intramolecularly Hydrogen-Bonded Systems: An Experimental and Theoretical Study
por: Hansen, Poul Erik, et al.
Publicado: (2021)

Special Issue: Intramolecular Hydrogen Bonding
por: Castellano, Ronald K.
Publicado: (2014)

Introduction to “Intramolecular Hydrogen Bonding 2018”
por: Sánchez, Goar
Publicado: (2019)

Antenna-coupled infrared nanospectroscopy of intramolecular vibrational interaction
por: Wilcken, Roland, et al.
Publicado: (2023)

Infrared Spectra of Hydrogen-Bonded Molecular Complexes Under Spatial Confinement
por: Chołuj, Marta, et al.
Publicado: (2022)

A novel non-fluorescent excited state intramolecular proton transfer phenomenon induced by intramolecular hydrogen bonds: an experimental and theoretical investigation
por: Yin, Hang, et al.
Publicado: (2016)

Special Issue: Intramolecular Hydrogen Bonding 2017
por: Scheiner, Steve
Publicado: (2017)

Cavity-Modified Unimolecular Dissociation Reactions via Intramolecular Vibrational Energy Redistribution
por: Wang, Derek S., et al.
Publicado: (2022)

Structural Characterization of the Metalized Radical Cations of Adenosine ([Ade+Li-H](•+) and [Ade+Na-H](•+)) by Infrared Multiphoton Dissociation Spectroscopy and Theoretical Studies
por: Kou, Min, et al.
Publicado: (2023)

Intramolecular Hydrogen Bonding Involving Organic Fluorine: NMR Investigations Corroborated by DFT-Based Theoretical Calculations
por: Kumar Mishra, Sandeep, et al.
Publicado: (2017)

Spectroscopic and Theoretical Study of the Intramolecular π-Type Hydrogen Bonding and Conformations of 2-Cyclopenten-1-ol
por: Ocola, Esther J., et al.
Publicado: (2021)

Computational Analysis of Vibrational Spectra of Hydrogen Bonds in sII and sH Gas Hydrates
por: Guo, Qing, et al.
Publicado: (2023)

Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning
por: Vermeyen, Tom, et al.
Publicado: (2023)

Manipulating hydrogen bond dissociation rates and mechanisms in water dimer through vibrational strong coupling
por: Yu, Qi, et al.
Publicado: (2023)

Characterization of an Omnitrap-Orbitrap Platform Equipped with Infrared Multiphoton Dissociation, Ultraviolet Photodissociation, and Electron Capture Dissociation for the Analysis of Peptides and Proteins
por: Smyrnakis, Athanasios, et al.
Publicado: (2023)

Tuning of Thioredoxin Redox Properties by Intramolecular Hydrogen Bonds
por: Røhr, Åsmund Kjendseth, et al.
Publicado: (2013)

Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution
por: Nagy, Peter I.
Publicado: (2014)

Intramolecular hydrogen bonds in 1,4-dihydropyridine derivatives
por: Petrova, M., et al.
Publicado: (2018)

A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives
por: Quiquempoix, Lucas, et al.
Publicado: (2017)

NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds
por: Hansen, Poul Erik, et al.
Publicado: (2017)

An Intuitively Understandable Quality Measure for Theoretical Vibrational Spectra
por: Henschel, Henning, et al.
Publicado: (2020)

Analytic calculations of anharmonic infrared and Raman vibrational spectra
por: Cornaton, Yann, et al.
Publicado: (2016)

Visible Multiphoton Dissociation of Chromophore-Tagged Peptides
por: Bouakil, Mathilde, et al.
Publicado: (2017)

Theoretical insights into excited-state hydrogen bonding effects and intramolecular proton transfer (ESIPT) mechanism for BTS system
por: Wang, Jiemin, et al.
Publicado: (2020)

Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds
por: Trujillo, Cristina, et al.
Publicado: (2019)

Elucidation of Single Hydrogen Bonds in GTPases via Experimental and Theoretical Infrared Spectroscopy
por: Mann, Daniel, et al.
Publicado: (2017)

Correction: Tuning of Thioredoxin Redox Properties by Intramolecular Hydrogen Bonds
por: Røhr, Åsmund Kjendseth, et al.
Publicado: (2013)

Intramolecular Charge-Assisted Hydrogen Bond Strength in Pseudochair Carboxyphosphate
por: Kochanek, Sarah E., et al.
Publicado: (2014)

Correction to ‘Intramolecular hydrogen bonds in 1,4-dihydropyridine derivatives’
por: Petrova, M., et al.
Publicado: (2018)

Intramolecular Hydrogen Bond in Biologically Active o-Carbonyl Hydroquinones
por: Martínez-Cifuentes, Maximiliano, et al.
Publicado: (2014)

Intramolecular Hydrogen Bonding and Conformational Preferences of Arzanol—An Antioxidant Acylphloroglucinol
por: Mammino, Liliana
Publicado: (2017)

Isotope Effects on Chemical Shifts in the Study of Intramolecular Hydrogen Bonds
por: Hansen, Poul Erik
Publicado: (2015)

Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy
por: Deshmukh, Milind M., et al.
Publicado: (2021)

Intramolecular Hydrogen-Bond Activation: Strategies, Benefits, and Influence in Catalysis
por: Guerrero-Corella, Andrea, et al.
Publicado: (2022)

Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be(4)B(8) Cluster at Different Temperatures
por: Buelna-García, Carlos Emiliano, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_hhuqu5d55c2g8ep9er0ik26m3t