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Dicyandiamide (DICY) is a common ligand that exhibits low toxicity but can irritate the skin and eyes and cause methemoglobinemia on long-term exposure. Crystalline Cu-dicyandiamide (Cu-DICY) was obtained via facile synthesis and its molecular structure and theoretical Raman spectra were simulated by using density functional theory (DFT). The results suggested that the Cu2+ coordinates with two H2...
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