Synthesis, crystal structure and NLO study of two new versatile Ca (II) complexes
Synthesis, crystal structure and NLO study of two new versatile Ca (II) complexes is a scholarly work, published in 2018 in ''Applied Organometallic Chemistry''. The main subjects of the publication include chemistry, Natural bond orbital, crystallography, calcium, photoluminescence, crystal structure, fourier-transform infrared spectroscopy, density functional theory, supramolecular chemistry, noncovalent bonding, urea, and physical chemistry. The theoretical calculations were performed by using B3LYP‐D3 method (standard hybrid density functional B3LYP method with dispersion correction D3) to find the coherent relationship between experimental and theoretical findings for structural, spectroscopic and electronic properties.