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Final version_ChenDu_master thesis.pdf (2.79 MB)

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Architectural Characterization of Polyhedral Oligomeric Silsesquioxanes by Ion Mobility Mass Spectrometry

Du, Chen
http://rave.ohiolink.edu/etdc/view?acc_num=akron1525355186538632

Abstract Details

2018, Master of Science, University of Akron, Polymer Science.
Mass spectrometry (MS) is an essential analytical technique that can separate and identify gas-phase ions based on their mass-to-charge ratio (m/z). MS separation alone may be inadequate for samples containing species that overlap at the same m/z value, such as isomeric or isobaric mixtures. Ion mobility mass spectrometry (IM-MS) can resolve this issue by adding a second dimension of separation by size and shape. Architectures and conformations of gaseous ions can be elucidated and investigated through collision cross-section (CCS) calculations from drift time measurements and verified by comparison with theoretical molecular modeling and simulation calculations. These methods have been utilized extensively for investigations of polyhedral oligomeric silsesquioxane (POSS) molecules because of their unique structures. POSS refers to a class of cage-like molecules with the general composition (SiO3/2)n. The cage-like core and variety of functional derivatives makes POSS a potential candidate for applications in functional hybrid materials such as porous materials, liquid crystals, semiconductors and functional coatings. Understanding the relationship between molecular structures and the physical properties offers opportunities to design better POSS-containing materials. A series of POSS oligomers were investigated using IM-MS along with molecular simulations to characterize their structures. The experimentally determined collision cross-sections (CCSs) of the POSS containing oligomers were consistent with those predicted by theoretical calculations, with differences ranging between 2-10%. Theoretical results indicate that the CCSs of POSS oligomers increase when adding POSS cages, but the relationship is not linear. The bonding between POSS cages also affects CCSs. The POSS oligomers with a rigid linkage exhibit more extended structures than those linked by flexible bonds even though they have the same number of POSS cages.
Chrys Wesdemiotis (Advisor)
Toshikazu Miyoshi (Committee Member)
39 p.
Analytical Chemistry; Chemistry; Polymer Chemistry

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Citations

  • Du, C. (2018). Architectural Characterization of Polyhedral Oligomeric Silsesquioxanes by Ion Mobility Mass Spectrometry [Master's thesis, University of Akron]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=akron1525355186538632

    APA Style (7th edition)

  • Du, Chen. Architectural Characterization of Polyhedral Oligomeric Silsesquioxanes by Ion Mobility Mass Spectrometry. 2018. University of Akron, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=akron1525355186538632.

    MLA Style (8th edition)

  • Du, Chen. "Architectural Characterization of Polyhedral Oligomeric Silsesquioxanes by Ion Mobility Mass Spectrometry." Master's thesis, University of Akron, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=akron1525355186538632

    Chicago Manual of Style (17th edition)

akron1525355186538632
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© 2018, all rights reserved.
This open access ETD is published by University of Akron and OhioLINK.