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postgraduate thesis: Mass spectrometric and quantum chemical studies of geological fluids
Title | Mass spectrometric and quantum chemical studies of geological fluids |
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Authors | |
Issue Date | 2012 |
Publisher | The University of Hong Kong (Pokfulam, Hong Kong) |
Citation | Tse, C. [謝至愷]. (2012). Mass spectrometric and quantum chemical studies of geological fluids. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b4977057 |
Abstract | A binary mixture of copper (II) chloride and gold (III) chloride solutions were introduced into a FT-ICR Mass Spectrometer through electrospray ionization techniques to produce ion clusters in the gaseous state. A series of families of ion clusters were detected across a range of different concentrations and they were identified as heterometallic mono-cationic clusters with possible hydrated and ligated species present as well.
Ab initio calculations on the first member of the family of hetero-metallic monocationic species detected in the mass spectra were carried out using density function theory (DFT) methods and correlation consistent (cc) basis sets. Equilibrium bond lengths and vibrational frequencies were computed and resulting values compared with published literature values. |
Degree | Master of Science |
Subject | Transition metal ions. Mass spectrometry. Quantum chemistry. |
Dept/Program | Applied Geosciences |
Persistent Identifier | http://hdl.handle.net/10722/181856 |
HKU Library Item ID | b4977057 |
DC Field | Value | Language |
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dc.contributor.author | Tse, Chi-hoi. | - |
dc.contributor.author | 謝至愷. | - |
dc.date.accessioned | 2013-03-20T06:29:08Z | - |
dc.date.available | 2013-03-20T06:29:08Z | - |
dc.date.issued | 2012 | - |
dc.identifier.citation | Tse, C. [謝至愷]. (2012). Mass spectrometric and quantum chemical studies of geological fluids. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b4977057 | - |
dc.identifier.uri | http://hdl.handle.net/10722/181856 | - |
dc.description.abstract | A binary mixture of copper (II) chloride and gold (III) chloride solutions were introduced into a FT-ICR Mass Spectrometer through electrospray ionization techniques to produce ion clusters in the gaseous state. A series of families of ion clusters were detected across a range of different concentrations and they were identified as heterometallic mono-cationic clusters with possible hydrated and ligated species present as well. Ab initio calculations on the first member of the family of hetero-metallic monocationic species detected in the mass spectra were carried out using density function theory (DFT) methods and correlation consistent (cc) basis sets. Equilibrium bond lengths and vibrational frequencies were computed and resulting values compared with published literature values. | - |
dc.language | eng | - |
dc.publisher | The University of Hong Kong (Pokfulam, Hong Kong) | - |
dc.relation.ispartof | HKU Theses Online (HKUTO) | - |
dc.rights | The author retains all proprietary rights, (such as patent rights) and the right to use in future works. | - |
dc.rights | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. | - |
dc.source.uri | http://hub.hku.hk/bib/B49770573 | - |
dc.subject.lcsh | Transition metal ions. | - |
dc.subject.lcsh | Mass spectrometry. | - |
dc.subject.lcsh | Quantum chemistry. | - |
dc.title | Mass spectrometric and quantum chemical studies of geological fluids | - |
dc.type | PG_Thesis | - |
dc.identifier.hkul | b4977057 | - |
dc.description.thesisname | Master of Science | - |
dc.description.thesislevel | Master | - |
dc.description.thesisdiscipline | Applied Geosciences | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.5353/th_b4977057 | - |
dc.date.hkucongregation | 2012 | - |
dc.identifier.mmsid | 991034164099703414 | - |