Ab Initio Calculations on the Intramolecular Electron Transfer Rates of a Bis(hydrazine) Radical Cation

Electron transfer (ET) rates of a charge localized (Class II) intervalence radical cation of a bis(hydrazine) are investigated theoretically. First, the intramolecular ET parameters, i.e., reorganization energy, electronic coupling, and effective frequency, are calculated using several ab initio app...

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Veröffentlicht in:	The journal of physical chemistry. B 2008-09, Vol.112 (35), p.11079-11086
Hauptverfasser:	Zhang, Weiwei, Zhu, Wenjuan, Liang, WanZhen, Zhao, Yi, Nelsen, Stephen F
Format:	Artikel
Sprache:	eng
Schlagworte:	B: Statistical Mechanics, Thermodynamics, Medium Effects
Online-Zugang:	Volltext
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