Developing Multiple Dimensional Vibrational Spectroscopy for Molecular Conformation Determinations and New Catalysts Design

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dc.contributor.advisorZheng, Junrongen_US
dc.creatorZhang, Yufanen_US
dc.date.accessioned2017-08-01T16:32:34Zen_US
dc.date.available2018-05-01T05:01:09Zen_US
dc.date.created2017-05en_US
dc.date.issued2017-04-12en_US
dc.date.submittedMay 2017en_US
dc.date.updated2017-08-01T16:32:34Zen_US
dc.description.abstractUnderstanding molecular structures can play a critical role in revealing many important chemical and biological phenomena. X-ray crystallography and NMR methods, two of the most common structural tools, cannot reveal all unknown molecular structures due to the restriction of sample form or low time resolution, respectively. Motivated by the need of a new approach to reveal structures that are currently not feasible by these traditional techniques, this thesis has developed a uniquely designed ultrafast multiple-mode multiple-dimensional vibrational spectroscopy (MDVS) to conquer the limitations of traditional methods. The MDVS technique has also been applied to study molecular structures under various condensed phases, and facilitate the understanding of various chemical mechanisms in this thesis. Chapter 1 gave a brief review of the current common structure tools that have been used by chemists. Their advantages and disadvantages were compared to bring up the challenges that a new generation of structure tool needs to conquer. Chapter 2 gave a detailed description of the new design of our multiple dimensional vibrational spectroscopy and its theoretical basis on how it can be used to reveal molecular structures. Chapter 3 gave an example of how the MDVS reveals the molecular conformations for molecules in various condensed phases. Chapter 4 showed another application of MDVS in revealing an intermediate’s structure during a real catalytic reaction for hydrogen generation. Chapter 5 was inspired by the potential application of formic acid as a great hydrogen chemical storage material demonstrated in Chapter 4, we continued working on developing and optimizing hydrogenation catalysts with even better efficiency and long lifetime.en_US
dc.embargo.terms2018-05-01en_US
dc.format.mimetypeapplication/pdfen_US
dc.identifier.citationZhang, Yufan. "Developing Multiple Dimensional Vibrational Spectroscopy for Molecular Conformation Determinations and New Catalysts Design." (2017) Diss., Rice University. <a href="https://hdl.handle.net/1911/96017">https://hdl.handle.net/1911/96017</a>.en_US
dc.identifier.urihttps://hdl.handle.net/1911/96017en_US
dc.language.isoengen_US
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.en_US
dc.subjectMulti-dimensional vibrational spectroscopyen_US
dc.subject2D-IRen_US
dc.subjectMDVSen_US
dc.subjectmolecular conformationen_US
dc.subjecthydrogen chemical storageen_US
dc.subjectmetal-organic catalysten_US
dc.titleDeveloping Multiple Dimensional Vibrational Spectroscopy for Molecular Conformation Determinations and New Catalysts Designen_US
dc.typeThesisen_US
dc.type.materialTexten_US
thesis.degree.departmentChemistryen_US
thesis.degree.disciplineNatural Sciencesen_US
thesis.degree.grantorRice Universityen_US
thesis.degree.levelDoctoralen_US
thesis.degree.nameDoctor of Philosophyen_US
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