Author: Ben Michael ElliottPublisher:
ISBN:
Category :
Languages : en
Pages : 200
Book Description
Multiresonance Infrared Spectroscopy for the Separation and Characterization of Isomer Contributions in Gas-phase Ion Clusters
Author: Ben Michael ElliottComputational Chemistry Investigation of Gas-phase Structures, Infrared Spectroscopy, and Dissociation Pathways of Isomeric Molecules
Author: Widana Kankanamge Dayangani Nirosha KaushalyaPublisher:
ISBN:
Category :
Languages : en
Pages : 86
Book Description
While chemical isomers typically have distinct properties, differentiating between them is often an analytical challenge, especially for mass spectrometric methods. Infrared multiple photon dissociation (IRMPD) spectroscopy and ion mobility spectrometry (IMS) can be useful in analysis of such isomeric compounds; however, experimental results alone do not directly provide in-depth structural information. In this thesis, computational chemistry is first used to explain experimental results and understand the conformational preference of the gas phase ions formed from the lithiation of cis-3, cis-4 and trans-4 hydroxyproline isomers and then used in a predictive manner to evaluate IRMPD spectroscopy and IMS as potential paths forward for the characterization of isomeric dye species. Finally, theoretical methods are used to begin to understand the dissociation pathways of lithiated hydroxyproline isomers in the gas phase, which is ongoing.
Infrared Spectroscopy of Gas Phase Ions
Author: Jacob C. SchmidtSeparation of Gas Phase Isomers Using Ion Mobiliby and Mass Spectrometry
Author: Brian Herbert ClowersPublisher:
ISBN:
Category : Ion mobility spectroscopy
Languages : en
Pages : 348
Book Description
Infrared Spectroscopy of Gas Phase Cluster Ions
Author: Gabriele SantambrogioPublisher:
ISBN:
Category :
Languages : en
Pages : 196
Book Description
Infrared Spectroscopy of Gas Phase Cluster Anions
Author: Jörg Mathias WeberInfrared Spectroscopy of Ion-hydrocarbon Clusters
Author: Oscar Rodriguez (Jr)Publisher:
ISBN:
Category :
Languages : en
Pages :
Book Description
Many biological and environmental systems contain ion, water, and hydrophobic components; and it is the balance between these competing interactions which governs their chemistry. This Thesis aims at exploring ion0́Ø0́Ø0́Øhydrocarbon interactions, then ion0́Ø0́Ø0́Øwater0́Ø0́Ø0́Øalkane interactions. To accomplish this, a combination of gas phase infrared predissociation spectroscopy (IRPD) and tandem mass spectrometry is utilized. The solvation of alkali metal ions by methane is discussed first, beginning with the effects of multiple argon atoms on Li+0́Ø0́Ø0́ØCH4 dimer clusters followed by a study of M+(CH4)n clusters where it is revealed that ions have a weak electrostatic effect beyond the first solvent shell. Next, the argon tagging and monitoring unique fragmentation channels are used to selectively probe for high energy Li+(H2O)3-4Ar1 conformers which contain extensive water hydrogen bonding. Finally, ion0́Ø0́Ø0́Øwater0́Ø0́Ø0́Øalkane interactions are probed in Li+(H2O)n clusters containing CH4 or C6H12 molecules. Some spectra contain hydrogen bonded peaks correlating to weak water0́Ø0́Ø0́Øalkane interactions. Furthermore, there is strong evidence that high energy conformers containing water hydrogen bonding are present in the cluster ion beam. This analysis is expanded to anionic Cl-(Water)m(CH4)n clusters to compare with cations. Density functional theory or MP2 level calculations were used to support and help characterize experimental data.
Infrared Spectroscopy of Symmetric and Spherical Top Molecules for Space Observation, Volume 2
Author: Pierre-Richard DahooPublisher: John Wiley & Sons
ISBN: 1119865972
Category : Science
Languages : en
Pages : 322
Book Description
This book, Volume 4 in the series, is dedicated to the relationship between laboratory spectroscopy, recording ever-more-complex spectra using increasingly powerful instruments benefiting from the latest technology, and the development of observation using instruments that are embedded in mobile probes or nanosatellites. The theoretical models described in Volumes 1, 2 and 3 are used in this volume, applying the cumulant theorem in the mean-field theory framework to interpret the near and mid-infrared spectra of symmetric top molecules, such as ammonia (NH3) and spherical molecules, such as methane (CH4). These molecules can be isolated in their gaseous form or subjected to the environmental constraints of a nano-cage (a substitution site, clathrate, fullerene or zeolite) or surfaces. These methods are not only valuable in the fields of environmental sciences, planetology and astrophysics, but also fit into the framework of data processing and the concept of Big Data.
Infrared Spectroscopy of Diatomics for Space Observation
Author: Pierre-Richard DahooPublisher: John Wiley & Sons
ISBN: 1119476615
Category : Science
Languages : en
Pages : 192
Book Description
This book describes different theoretical models developed to identify the near and mid infrared (IR) spectra of diatomic molecules isolated in the gas phase or subjected to environmental constraints, useful for the study of environmental sciences, planetology and astrophysics. The applications presented show how molecular interactions modify the near and mid IR spectra of isolated diatomics under the effect of pressure, a nano-cage (substitution site, Clathrate, Fullerene, Zeolite) or surfaces, to identify the characteristics of the perturbing environment.
Infrared Spectroscopic Characterization of Secondary Structure Elements of Gas-phase Biomolecules
Author: Peter KupserPublisher:
ISBN: 9783866649750
Category :
Languages : en
Pages : 205
Book Description