title: Hexaazatriphenylene (HAT) versus tri-HAT: the bigger the better?
abstract: A new hexaazatriphenylene (HAT) derivative formed by the fusion of three HAT units has been prepared and its electronic and molecular structures have been fully characterized by optical and vibrational Raman spectroscopy, electrochemistry, solid-state UV and inverse photoemission spectroscopy (UPS and IPES), and by quantum-chemical calculations. A comparative HAT versus tri-HAT study was performed. The fusion of three HAT molecules causes modifications in the optical and electrochemical properties consistent with enhanced π-electron delocalization attained in a bigger planar core. Such combined experimental and theoretical studies are useful to balance chemical design with supramolecular engineering directed to find enhanced characteristics for new organic semiconductor applications.
authors.affiliation: Department of Organic Chemistry, Complutense University of Madrid, Faculty of Chemistry, Madrid 28040, Spain.
authors.forename: Rafael
authors.initials: R
authors.lastname: Juárez
authors.forename: María
authors.initials: M
authors.lastname: Moreno Oliva
authors.forename: Mar
authors.initials: M
authors.lastname: Ramos
authors.forename: José L
authors.initials: JL
authors.lastname: Segura
authors.forename: Carlos
authors.initials: C
authors.lastname: Alemán
authors.forename: Francisco
authors.initials: F
authors.lastname: Rodríguez-Ropero
authors.forename: David
authors.initials: D
authors.lastname: Curcó
authors.forename: Francisco
authors.initials: F
authors.lastname: Montilla
authors.forename: Veaceslav
authors.initials: V
authors.lastname: Coropceanu
authors.forename: Jean Luc
authors.initials: JL
authors.lastname: Brédas
authors.forename: Yabing
authors.initials: Y
authors.lastname: Qi
authors.forename: Antoine
authors.initials: A
authors.lastname: Kahn
authors.forename: M Carmen
authors.initials: MC
authors.lastname: Ruiz Delgado
authors.forename: Juan
authors.initials: J
authors.lastname: Casado
authors.forename: Juan T
authors.initials: JT
authors.lastname: López Navarrete