Spin-triplet excitons in 1,3-diphenyl-7-(fur-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl

Christos P Constantinides; Emma Carter; Damien M Murphy; Maria Manoli; Gregory M Leitus; Michael Bendikov; Jeremy M Rawson; Panayiotis A Koutentis

doi:10.1039/c3cc44899a

Spin-triplet excitons in 1,3-diphenyl-7-(fur-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl

Chem Commun (Camb). 2013 Oct 7;49(77):8662-4. doi: 10.1039/c3cc44899a.

Authors

Christos P Constantinides¹, Emma Carter, Damien M Murphy, Maria Manoli, Gregory M Leitus, Michael Bendikov, Jeremy M Rawson, Panayiotis A Koutentis

Affiliation

¹ Department of Chemistry, University of Cyprus, P.O. Box 20537, 1678, Nicosia, Cyprus. koutenti@ucy.ac.cy.

PMID: 23949686
DOI: 10.1039/c3cc44899a

Abstract

7-(Fur-2-yl)benzotriazinyl 1 is the first example of a hydrazyl radical dimer with a thermally accessible triplet state. The triplet exciton (|D| = 0.018 cm(-1), |E| = 0.001 cm(-1)) was observed by solid-state VT-EPR spectroscopy between 5 and 140 K. VT crystallography, DFT calculations and magnetic susceptibility studies reveal a strong temperature dependence of the intra-dimer exchange interaction with J/k ~ -254 + 0.0007T(2).