How delocalized is N,N,N′,N′-tetraphenylphenylenediamine radical cation? An experimental and theoretical study on the electronic and molecular structure

Journal of the American Chemical Society

Volumn 126, Issue 25, 2004, Pages 7834-7845

  Szeghalmi, Adriana V ^a   Erdmann, Marco ^a   Engel, Volker ^a   Schmitt, Michael ^a   Amthor, Stephan ^a   Kriegisch, Volker ^a   Nöll, Gilbert ^a   Stahl, Rainer ^a   Lambert, Christoph ^a   Leusser, Dirk ^a   Stalke, Dietmar ^a   Zabel, Manfred ^b   Popp, Jürgen ^c  

^a UNIVERSITY OF WÜRZBURG   (Germany)

^b UNIVERSITY OF REGENSBURG   (Germany)

^c FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC COMPOUNDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; X RAY CRYSTALLOGRAPHY;

OPTICAL CHARGE RESONANCE; RESONANCE RAMAN EXPERIMENTS; VIBRATIONAL REORGANIZATION ENERGY;

MOLECULAR STRUCTURE;

1,3 PHENYLENEDIAMINE; CATION; N,N,N,N TETRAPHENYLPHENYLENEDIAMINE RADICAL CATION; RADICAL; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONICS; INFRARED RADIATION; INFRARED SPECTROSCOPY; OPTICAL CHARGE RESONANCE; RAMAN SPECTROMETRY; SOLID STATE; STRUCTURE ANALYSIS; VIBRATION; X RAY CRYSTALLOGRAPHY;

EID: 3042685856     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0395386     Document Type: Article

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