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Z-scan measurements and TDDFT study of the two-photon absorption properties of diaqua-bis(4-hydroxy-3-methoxybenzaldehyde)-cobalt(II)

ABSTRACT A cobalt complex constructed by the ligand(L): 4-hydroxy-3-methoxybenzaldehyde [Co(C8H7O3)2(H2O)2] has been synthesized and characterized by X-ray single crystal diffraction. The cobalt(II) atom is six-coordinate in a distorted octahedral geometry, intermolecular O-H•••O hydrogen bonds lead to the formation of a two-dimensional supramolecular network along ab plane. Its thermal stability was determined by TGA/DSC. Its two-photon absorption (TPA) cross-section σ2 value and second hyperpolarizability γ value were determined to be 1.59 × 10−53 (m4 · s/photon · molecule) and 1.06 × 10−56 (C · m4/V3) by Z-scan technique with 20 picosecond (ps) pulses at wavelength 1064 nm. The γ value is about six times larger than the time-dependent density-functional theory (TDDFT) calculation results.