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dc.contributor.authorCastro Juárez, Eduardoen
dc.date.accessioned2020-02-18T18:33:06Z
dc.date.available2020-02-18T18:33:06Z
dc.identifier.urihttp://hdl.handle.net/1974/27627
dc.description.abstractThe Lanczos algorithm was used to determine J=0 and J=1 ro-vibrational energy levels for CO-CO2 . The fundamental transition energies have good agreement with previous experiments for both the C-bound and O-bound isomers. Likewise, we ob- served and confirmed a previously unlabeled in-plane state, now labeled a geared state. Other states were labeled and confirmed, such as the CO-libration state. Ro- tational constants obtained from J = 1 energy levels also have good agreement with previous experiments. There is strong coupling between the bends and torsion, which makes the in-plane Potential Energy Surface (PES) cuts different from the out-of-plane cuts. There is an out-of-plane path, however its barrier is still higher than its geared counterpart. When close to equilibrium, a T-shape, a vibration on the torsional coordinate does not significantly change the geometry of the molecule, making vibration along this coordinate very floppy.en
dc.language.isoengen
dc.relation.ispartofseriesCanadian thesesen
dc.rightsCC0 1.0 Universalen
dc.rightsQueen's University's Thesis/Dissertation Non-Exclusive License for Deposit to QSpace and Library and Archives Canadaen
dc.rightsProQuest PhD and Master's Theses International Dissemination Agreementen
dc.rightsIntellectual Property Guidelines at Queen's Universityen
dc.rightsCopying and Preserving Your Thesisen
dc.rightsThis publication is made available by the authority of the copyright owner solely for the purpose of private study and research and may not be copied or reproduced except as permitted by the copyright laws without written authority from the copyright owner.en
dc.rights.urihttp://creativecommons.org/publicdomain/zero/1.0/
dc.subjectCO-CO2en
dc.subjectRovibrational Spectroscopyen
dc.subjectRo-vibrational Spectroscopyen
dc.titleComputational study of rovibrational spectrum of CO-CO 2en
dc.typethesisen
dc.description.degreeM.Sc.en
dc.contributor.supervisorCarrington, Tuckeren
dc.contributor.departmentPhysics, Engineering Physics and Astronomyen
dc.degree.grantorQueen's University at Kingstonen


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CC0 1.0 Universal
Except where otherwise noted, this item's license is described as CC0 1.0 Universal