Bibliographic Details
| Title: |
Complexation of anions to gas-phase amino acids: Conformation is critical in determining if the global minimum is canonical or zwitterionic. |
| Authors: |
Walker, Martin1, Sen, Ananya1, Harvey, Andrew J.A.1, Dessent, Caroline E.H.1 caroline.dessent@york.ac.uk |
| Source: |
Chemical Physics Letters. Nov2013, Vol. 588, p43-46. 4p. |
| Subjects: |
Complexation reactions, Gas phase reactions, Amino acids, Zwitterions, Comparative studies, Tautomerism |
| Abstract: |
Highlights: [•] Br− can stabilize the zwitterionic form of arginine in an isolated cluster. [•] Zwitterionic and canonical minima are very close in energy for Br−·Arg. [•] The canonical tautomer is lower in energy for the Cl−·Arg cluster. [•] Conformation is crucial in determining canonical vs zwitterion relative energies. [•] Comparison to experiment suggests that messenger tagged IR experiments are vital. [ABSTRACT FROM AUTHOR] |
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| Database: |
Engineering Source |
