The structures and properties of anionic tryptophan complexes.
Clicks: 196
ID: 42719
2018
The physicochemical properties of [Trp-H] and [TrpCl] (n = 1, 2) have been investigated in a combined computational and experimental infrared multiple dissociation (IRMPD) study. IRMPD spectra within the 850-1900 cm region indicate that deprotonation is localized on the carboxylic acid moiety in [Trp-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 [TrpCl] and [TrpCl] clusters favour coordination of the halide by the indole NH. [Trp-H] and [TrpCl] exhibit additional π-π interactions between the heterocyclic side chains.
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ieritano2018thephysical
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| Authors | Ieritano, Christian;Featherstone, Joshua;Carr, Patrick J J;Marta, Rick A;Loire, Estelle;McMahon, Terrance B;Hopkins, W Scott; |
| Journal | Physical chemistry chemical physics : PCCP |
| Year | 2018 |
| DOI | 10.1039/c8cp04533j |
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