Isomers of Disulfur Dinitride, S2N2
Prof. Dr. Helge Willner2
1 The Key Lab of Health Chemistry and Molecular Diagnosis of Suzhou, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China)
2 FB C—Anorganische Chemie, Bergische Universität Wuppertal, 42119 Wuppertal (Germany)
3 INQUINOA (CONICET-UNT) Instituto de Química Física, Facultad de Bioquímica, Química y Farmacia, Universidad Nacional de Tucumán, San Lorenzo 456, 4000 Tucumán (Argentina)
Angew. Chem. Int. Ed. 2015, 54, 2758–2761
UV photolysis (λ=248 or 255 nm) of cyclic S2N2 isolated in solid argon matrices yields two open-shell S2N2 isomers, trans SNSN (3A′′) and cis SNSN (3A′′), as well as a closed-shell C2v dimer (SN)2(1A1). These novel isomers have been characterized by their IR spectra and mutual photo-interconversion reactions. Quantum chemical calculations support the experimental results and also provide insight into the complex potential energy surface of S2N2.