AgI and ZnII complexes with possible application as NLO materials - Crystal structures and properties

Four novel AgI-complexes with DL-mandelic acid (MA) (1), squaric acid (H2Sq) (2), 3-pyridin aldehyde (3PyA) (3) and 2-amino-8-hydroxyquinoline (2A8H) (4) as well as two ZnII-ones with 3PyA (5) and 2A8H (6) are synthesized, isolated, spectroscopic and structural characterized by single crystal X-ray diffraction, UV-vis-NIR, and IR-spectroscopy. The experimental data of the complex (1) were compared with the analogous of the neutral MA. Quantum chemical calculations are carried out, and the electronic structures and optical properties of neutral MA and its anion, with a view to assign the vibrational properties of (1).