New near-IR active MgPc(H2O) polymorphic modification: Synthesis, structural investigation, thermal stability and spectroscopy

New polymorphic modification of MgPc(H2O) was obtained and its single crystal structure determined. It crystallizes in non-centrosymmetric space group P21 of the monoclinic system. Mg atom exhibits 4 + 1 type environment, consisting of four N isoindole atoms and apical O atom of water molecule. Spectroscopic studies indicate that the crystals possess solid-state broad-band near-IR absorption. The origin of the band broadening along with the comparison with two already known modifications is discussed.

► New modification of aqua magnesium(II) phthalocyanine was obtained.
► The crystal structure of MgPc(H2O) was determined.
► The investigations were perfomed due to dual goals: (1) its similarity to chlorophyll and (2) its optical properies.