A Theoretical Investigation of Charge Transfer in Several Substituted Acridinium Ions†
نویسندگان
چکیده
منابع مشابه
A theoretical investigation of charge transfer in several substituted acridinium ions.
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 verti...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2005
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp0456133