Infrared Spectroscopy of Molecular Ions and Ion-solvent Clusters PDF Download
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Author: Jong-Ho Choi
Publisher:
ISBN:
Category : Electronic dissertations
Languages : en
Pages : 388
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Author: Jong-Ho Choi
Publisher:
ISBN:
Category : Electronic dissertations
Languages : en
Pages : 388
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Author: Mitchio Okumura
Publisher:
ISBN:
Category :
Languages : en
Pages : 382
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Author: Oscar Rodriguez (Jr)
Publisher:
ISBN:
Category :
Languages : en
Pages :
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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.
Author:
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ISBN:
Category :
Languages : en
Pages : 249
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This thesis describes new experiments wherein the infrared vibrational predissociation spectra of a number of mass-selected ionic cluster systems have been obtained and analyzed in the 2600 to 4000 cm−1 region. The species studied include: the hydrated hydronium ions, H3O (H2O){sub 3 -10}, ammoniated ammonium ions, NH4(NH3){sub 1 -10} and cluster ions involving both water and ammonia around an ammonium ion core, (mixed clusters) NH4(NH3){sub n}(H2O){sub m} (n+m=4). In each case, the spectra reveal well resolved structures that can be assigned to transitions arising from the vibrational motions of both the ion core of the clusters and the surrounding neutral solvent molecules. 154 refs., 19 figs., 8 tabs.
Author: John Michael Price
Publisher:
ISBN:
Category :
Languages : en
Pages : 512
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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 190
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This thesis describes an infrared spectroscopic study on the structures and dynamics of the nonclassical ions and their complexes, using ion trap vibrational predissociation spectroscopy. Chapter One provides an introduction to the experimental apparatus used in this work. Chapter Two describes the previous theoretical and experimental works on the carbonium ion CH5 and infrared spectroscopic and theoretical works on CH5. CH5+ was predicted to scramble constantly without possessing a stable structure. In Chapter Three, the infrared spectroscopy for the molecular hydrogen solvated carbonium ions CH5+(H2){sub n} (n=1-6) in the frequency region of 2700-4200 cm−1 are presented and compared with the results of ab initio molecular dynamics simulation on CH5+(H2){sub n} (n=0-3). The results suggested that the scrambling of CH5+ slowed down considerably by the stabilization effects of the solvent H2 molecules, and it was completely frozen out when the first three H2 molecules were bound to the core CH5+. Chapter Four presents the complete infrared spectra for the solvated carbonium ions, CH5+(A)(subscript x)(B){sub y} (A, B=H2, Ar, N2, CH4;x, y=0-5) in the frequency region of 2500-3200 cm−1. As the binding affinities of the solvent molecules and the number of the solvent molecules in the clusters increased, the scrambling of CH5+ slowed down substantially. The structures of the solvated carbonium ions and the evidence for rapid proton transfer in CH5+(CH4) were also presented. Chapter Five presents the vib-rotational spectrum for the H-H stretching mode of the silanium ion SiH5+. The results suggested that SiH5+ can be described as a complex of SiH3+ and a freely internally rotating H2, analogous to, but distinct from CH5+.
Author: Mohammad Al-Za'al
Publisher:
ISBN:
Category : Anions
Languages : en
Pages : 344
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Author: C. Michael Lindsay
Publisher:
ISBN:
Category : Color centers
Languages : en
Pages : 496
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Author: Wing-Cheung Ho
Publisher:
ISBN:
Category : Infrared spectroscopy
Languages : en
Pages : 408
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Author: Brent David Rehfuss
Publisher:
ISBN:
Category : High resolution spectroscopy
Languages : en
Pages : 320
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