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dc.contributor.author
Han, Lu
dc.contributor.author
Iguchi, Daniela
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dc.contributor.author
Gil, Phwey
dc.contributor.author
Heyl, Tyler R.
dc.contributor.author
Sedwick, Victoria M.
dc.contributor.author
Rodriguez Arza, Carlos
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dc.contributor.author
Ohashi, Seishi
dc.contributor.author
Lacks, Daniel J.
dc.contributor.author
Ishida, Hatsuo
dc.date.available
2018-06-21T20:32:15Z
dc.date.issued
2017-08
dc.identifier.citation
Han, Lu; Iguchi, Daniela; Gil, Phwey; Heyl, Tyler R.; Sedwick, Victoria M.; et al.; Oxazine Ring-Related Vibrational Modes of Benzoxazine Monomers Using Fully Aromatically Substituted, Deuterated, 15N Isotope Exchanged, and Oxazine-Ring-Substituted Compounds and Theoretical Calculations; American Chemical Society; Journal of Physical Chemistry A; 121; 33; 8-2017; 6269-6282
dc.identifier.issn
1089-5639
dc.identifier.uri
http://hdl.handle.net/11336/49599
dc.description.abstract
Polymerization of benzoxazine resins is indicated by the disappearance of a 960-900 cm-1 band in infrared spectroscopy (IR). Historically, this band was assigned to the C-H out-of-plane bending of the benzene to which the oxazine ring is attached. This study shows that this band is a mixture of the O-C2 stretching of the oxazine ring and the phenolic ring vibrational modes. Vibrational frequencies of 3-phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazine (PH-a) and 3-(tert-butyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine (PH-t) are compared with isotope-exchanged and all-substituted compounds. Deuterated benzoxazine monomers, 15N-isotope exchanged benzoxazine monomers, and all-substituted benzoxazine monomers without aromatic C-H groups are synthesized and studied meticulously. The various isotopic-exchanges involved deuteration around the benzene ring of phenol, selective deuteration of each CH2 in the O-CH2-N (2) and N-CH2-Ar (4) positions on the oxazine ring, or simultaneous deuteration of both positions. The chemical structures were confirmed by 1H nuclear magnetic resonance spectroscopy (1H NMR). The IR and Raman spectra of each compound are compared. Further analysis of 15N isotope-exchanged PH-a indicates the influence of the nitrogen isotope on the band position, both experimentally and theoretically. This finding is important for polymerization studies of benzoxazines that utilize vibrational spectroscopy.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Benzoxazine
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Ring Opening
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Infrared
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Isotopes
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Recubrimientos y Películas
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dc.subject.classification
Ingeniería de los Materiales
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dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
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dc.title
Oxazine Ring-Related Vibrational Modes of Benzoxazine Monomers Using Fully Aromatically Substituted, Deuterated, 15N Isotope Exchanged, and Oxazine-Ring-Substituted Compounds and Theoretical Calculations
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-06-06T19:47:18Z
dc.identifier.eissn
1520-5215
dc.journal.volume
121
dc.journal.number
33
dc.journal.pagination
6269-6282
dc.journal.pais
Estados Unidos
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dc.description.fil
Fil: Han, Lu. Case Western Reserve University; Estados Unidos
dc.description.fil
Fil: Iguchi, Daniela. Case Western Reserve University; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
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Fil: Gil, Phwey. Case Western Reserve University; Estados Unidos
dc.description.fil
Fil: Heyl, Tyler R.. Case Western Reserve University; Estados Unidos
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Fil: Sedwick, Victoria M.. Case Western Reserve University; Estados Unidos
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Fil: Rodriguez Arza, Carlos. Case Western Reserve University; Estados Unidos
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Fil: Ohashi, Seishi. Case Western Reserve University; Estados Unidos
dc.description.fil
Fil: Lacks, Daniel J.. Case Western Reserve University; Estados Unidos
dc.description.fil
Fil: Ishida, Hatsuo. Case Western Reserve University; Estados Unidos
dc.journal.title
Journal of Physical Chemistry A
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpca.7b05249
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpca.7b05249
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