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Title: Intramolecular p-Stacking Interactions of Bridged Bis-p-Phenylenediamine Radical Cations and Diradical Dications: Charge-Transfer versus Spin-Coupling

Abstract

A bridged mixed-valent compound with direct through-space interactions between the charge-bearing units in its singly charged paramagnetic and its doubly charged diamagnetic forms is isolated and characterized by X-ray crystallography and spectroscopy (see scheme). {pi}-Stacking interactions for the singlet diradical dication were more pronounced than for the doublet monocation, despite the Coulomb repulsion effect in the diradical dication.

Authors:
; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL) Center for Functional Nanomaterials
Sponsoring Org.:
DOE - OFFICE OF SCIENCE
OSTI Identifier:
1024331
Report Number(s):
BNL-94731-2011-JA
Journal ID: ISSN 1433-7851; R&D Project: 2011-BNL-NC001-BUDG; KC020401H; TRN: US201119%%301
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Journal Name:
Angewandte Chemie - International Edition
Additional Journal Information:
Journal Volume: 50; Journal Issue: 30; Journal ID: ISSN 1433-7851
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CATIONS; COULOMB FIELD; CRYSTALLOGRAPHY; RADICALS; SPECTROSCOPY; pi-pi interaction; functional nanomaterials

Citation Formats

Jalilov, A.S., Wu, Q., Nelsen, S.F., and Guzei, I.A.. Intramolecular p-Stacking Interactions of Bridged Bis-p-Phenylenediamine Radical Cations and Diradical Dications: Charge-Transfer versus Spin-Coupling. United States: N. p., 2011. Web. doi:10.1002/anie.201102629.
Jalilov, A.S., Wu, Q., Nelsen, S.F., & Guzei, I.A.. Intramolecular p-Stacking Interactions of Bridged Bis-p-Phenylenediamine Radical Cations and Diradical Dications: Charge-Transfer versus Spin-Coupling. United States. doi:10.1002/anie.201102629.
Jalilov, A.S., Wu, Q., Nelsen, S.F., and Guzei, I.A.. Mon . "Intramolecular p-Stacking Interactions of Bridged Bis-p-Phenylenediamine Radical Cations and Diradical Dications: Charge-Transfer versus Spin-Coupling". United States. doi:10.1002/anie.201102629.
@article{osti_1024331,
title = {Intramolecular p-Stacking Interactions of Bridged Bis-p-Phenylenediamine Radical Cations and Diradical Dications: Charge-Transfer versus Spin-Coupling},
author = {Jalilov, A.S. and Wu, Q. and Nelsen, S.F. and Guzei, I.A.},
abstractNote = {A bridged mixed-valent compound with direct through-space interactions between the charge-bearing units in its singly charged paramagnetic and its doubly charged diamagnetic forms is isolated and characterized by X-ray crystallography and spectroscopy (see scheme). {pi}-Stacking interactions for the singlet diradical dication were more pronounced than for the doublet monocation, despite the Coulomb repulsion effect in the diradical dication.},
doi = {10.1002/anie.201102629},
journal = {Angewandte Chemie - International Edition},
issn = {1433-7851},
number = 30,
volume = 50,
place = {United States},
year = {2011},
month = {7}
}