Elucidation of Structure and the Spin State of Porphyrinoid Fe Complexes By Single Crystal Diffraction and Incommensurate modulations in mi

The aim of the measurement are the structure solution of tiny single crystals of various iron(II) and iron(III) complexes of a new CTP ligand that could not be measured with regular molybdenum or copper radiation. In addition to the molecular structure, the spin-state and temperature dependent spin-state changes shall be elucidated. In addition, intermolecular interactions, e. g. Fe-Fe dimer formation shall be revealed. We propose to determine the incommensurately modulated structures of the two vanadate fresnoites Rb2V3O8 and K2V3O8 in superspace. Both compounds have different modulation wave vectors and temperatures of the transition from the normal to the modulated phases. We aim to better understand the underlying mechanisms related to the formation of modulated structures in vanadate fresnoites by performing a full structure determination of both compounds in superspace as a function of temperature.