dc.contributor.author | Ieritano, Christian | |
dc.contributor.author | Featherstone, Joshua | |
dc.contributor.author | Carr, Patrick J. J. | |
dc.contributor.author | Marta, Rick A. | |
dc.contributor.author | Loire, Estelle | |
dc.contributor.author | McMahon, Terrance B. | |
dc.contributor.author | Hopkins, W. Scott | |
dc.date.accessioned | 2020-10-29 19:05:55 (GMT) | |
dc.date.available | 2020-10-29 19:05:55 (GMT) | |
dc.date.issued | 2018 | |
dc.identifier.uri | https://doi.org/10.1039/C8CP04533J | |
dc.identifier.uri | http://hdl.handle.net/10012/16484 | |
dc.description.abstract | The 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.sponsorship | The authors would like to acknowledge the financial support provided by the Natural Sciences and Engineering Research Council (NSERC) of Canada. | en |
dc.language.iso | en | en |
dc.publisher | Royal Society of Chemistry | en |
dc.title | The structures and properties of anionic tryptophan complexes | en |
dc.type | Article | en |
uws.contributor.affiliation1 | Faculty of Science | en |
uws.contributor.affiliation2 | Chemistry | en |
uws.typeOfResource | Text | en |
uws.peerReviewStatus | Reviewed | en |
uws.scholarLevel | Faculty | en |
uws.scholarLevel | Post-Doctorate | en |
uws.scholarLevel | Graduate | en |