## Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

484440.pptx (18MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

1320.pdf (15kB)
AbstractPDF

## Description

 Title: UNRAVELING PROTON TRANSFER IN STEPWISE HYDRATED N-HETEROCYCLIC ANIONS Author(s): Kelly, John T. Contributor(s): Tschumper, Gregory S.; Bowen, Kit; Hammer, Nathan I Subject(s): Ions Abstract: Depending upon the number and location of nitrogen atoms in a N-heterocyclic azabenzene, the addition of a single water molecule can result in a positive electron affinity. The transfer of a proton from a solvating water azine base can be induced by excess electron attachment. Here we explore this phenomenon through the use of photoelectron spectroscopy and electronic structure theory. Carefully calibrated density functional theory (DFT) computations indicate that the excess electron predominantly resides in a $pi$* orbital of the heterocycle. Issue Date: 22-Jun-15 Publisher: International Symposium on Molecular Spectroscopy Citation Info: ACS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/79397 Date Available in IDEALS: 2016-01-05
﻿