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dc.contributor.authorIeritano, Christian
dc.contributor.authorFeatherstone, Joshua
dc.contributor.authorCarr, Patrick J. J.
dc.contributor.authorMarta, Rick A.
dc.contributor.authorLoire, Estelle
dc.contributor.authorMcMahon, Terrance B.
dc.contributor.authorHopkins, W. Scott
dc.date.accessioned2020-10-29 19:05:55 (GMT)
dc.date.available2020-10-29 19:05:55 (GMT)
dc.date.issued2018
dc.identifier.urihttps://doi.org/10.1039/C8CP04533J
dc.identifier.urihttp://hdl.handle.net/10012/16484
dc.description.abstractThe physicochemical properties of [Trpn–H]− and [Trpn⋯Cl]− (n = 1, 2) have been investigated in a combined computational and experimental infrared multiple dissociation (IRMPD) study. IRMPD spectra within the 850–1900 cm−1 region indicate that deprotonation is localized on the carboxylic acid moiety in [Trpn–H]− clusters. A combination of hydrogen bonding and higher order charge–quadrupole interactions appear to influence cluster geometries for all investigated systems. Calculated global minimum and low energy geometries of [Trp⋯Cl]− and [Trp2⋯Cl]− clusters favour coordination of the halide by the indole NH. [Trp2–H]− and [Trp2⋯Cl]− exhibit additional π–π interactions between the heterocyclic side chains.en
dc.description.sponsorshipThe authors would like to acknowledge the financial support provided by the Natural Sciences and Engineering Research Council (NSERC) of Canada.en
dc.language.isoenen
dc.publisherRoyal Society of Chemistryen
dc.titleThe structures and properties of anionic tryptophan complexesen
dc.typeArticleen
uws.contributor.affiliation1Faculty of Scienceen
uws.contributor.affiliation2Chemistryen
uws.typeOfResourceTexten
uws.peerReviewStatusRevieweden
uws.scholarLevelFacultyen
uws.scholarLevelPost-Doctorateen
uws.scholarLevelGraduateen


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