Nitrosyl isomerism in amorphous Mn(TPP)(NO) solidsElectronic supplementary information (ESI) available: More detailed experimental procedures. Fig. S1: Mn-NO interaction orbital diagrams. Fig. S2: spin density diagram for the triplet bent configuration. Tables S1-S3: calculated energies and other data for isomers and spin states of Mn(P)(NO) and Mn(P)(ON). See DOI: 10.1039/c2cc37337h

Reaction of NO with amorphous Mn(TPP) layers gives two Mn(TPP)(NO) isomers with linear and bent Mn-N-O geometries that reversibly interconvert with changes in temperature. DFT computations predict that the linear complex is the singlet ground state while the bent structure is a triplet state. Reaction of NO with amorphous Mn(TPP) layers gives two Mn(TPP)(NO) isomers with linear and bent Mn-N-O geometries in the singlet and triplet states correspondingly.