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postgraduate thesis: Mass spectrometric and quantum chemical studies of geological fluids

TitleMass spectrometric and quantum chemical studies of geological fluids
Authors
Issue Date2012
PublisherThe 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
AbstractA 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.
DegreeMaster of Science
SubjectTransition metal ions.
Mass spectrometry.
Quantum chemistry.
Dept/ProgramApplied Geosciences
Persistent Identifierhttp://hdl.handle.net/10722/181856

 

DC FieldValueLanguage
dc.contributor.authorTse, Chi-hoi.-
dc.contributor.author謝至愷.-
dc.date.accessioned2013-03-20T06:29:08Z-
dc.date.available2013-03-20T06:29:08Z-
dc.date.issued2012-
dc.identifier.citationTse, 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.urihttp://hdl.handle.net/10722/181856-
dc.description.abstractA 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.languageeng-
dc.publisherThe University of Hong Kong (Pokfulam, Hong Kong)-
dc.relation.ispartofHKU Theses Online (HKUTO)-
dc.rightsThe author retains all proprietary rights, (such as patent rights) and the right to use in future works.-
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.source.urihttp://hub.hku.hk/bib/B49770573-
dc.subject.lcshTransition metal ions.-
dc.subject.lcshMass spectrometry.-
dc.subject.lcshQuantum chemistry.-
dc.titleMass spectrometric and quantum chemical studies of geological fluids-
dc.typePG_Thesis-
dc.identifier.hkulb4977057-
dc.description.thesisnameMaster of Science-
dc.description.thesislevelMaster-
dc.description.thesisdisciplineApplied Geosciences-
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.5353/th_b4977057-
dc.date.hkucongregation2012-

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