Skip navigation
Skip navigation

A Theoretical Investigation of Charge Transfer in Several Substituted Acridinium Ions

Lappe, Jason; Cave, Robert J; Newton, Marshall D; Rostov, Ivan

Description

We present calculations for various properties of the ground and excited states of several arylamine-substituted acridinium ion systems that have been studied experimentally. Using ab initio and semiempirical quantum mechanical methods together with the generalized Mulliken-Hush (GMH) model, we examine the excitation energies, dipole moment shifts, and electronic coupling elements for the vertical charge shift (CSh) processes in these systems. We also examine solvent effects on these properties...[Show more]

CollectionsANU Research Publications
Date published: 2005
Type: Journal article
URI: http://hdl.handle.net/1885/83391
Source: Journal of Physical Chemistry B
DOI: 10.1021/jp0456133

Download

File Description SizeFormat Image
01_Lappe_A_Theoretical_Investigation_of_2005.pdf97.9 kBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  23 August 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator