In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Deciphering of Ligand-to-Metal Charge-Transfer Process: Synthesis, Spectroscopic and Theoretical Study, published in 2019, which mentions a compound: 3326-71-4, mainly applied to Schiff base metal ion sensing fluorescence density functional theory, Name: 2-Furoic hydrazide.
Many reports on metal ion sensing applications are available in literature but the mechanism of selectivity is not clear. Here the synthesis and characterization of a Schiff base Furan-2-carboxylic acid pyren-1-ylmethylene-hydrazide (PYFH) has been described with selective detection of copper(II) metal ion among different metal ions by UV-vis, fluorescence and HRMS spectroscopic methods. The S2- ion (Na2S) was added to the PYFH:Cu2+ complex for checking reversibility of PYFH by fluorescence, fluorescence microscopic imaging and mol. logic gate construction (combination of NOT and OR gate). From the exptl. findings the reason for selectivity of Cu2+ metal ion among a series of metal ions is not clear. So, to explore the causes of selectivity of Cu2+ metal ion by PYFH, D. Functional Theory (DFT) calculation was conducted for free PYFH and various sets of metal ions individually with PYFH. From DFT calculation it was understandable that selectivity of PYFH towards Cu2+ ions occurred due to lowering of HOMO-LUMO energy of PYFH:Cu2+ composites (-8.46 & -5.80 eV) compared to free PYFH (-5.56 & -2.15 eV). Whereas energy of HOMO and LUMO with other metals ions (PYFH:Mn+) are ∼-5.50 and ∼-2.24 eV resp., as a result PYFH does not get any extra stability.
There is still a lot of research devoted to this compound(SMILES：O=C(C1=CC=CO1)NN)Name: 2-Furoic hydrazide, and with the development of science, more effects of this compound(3326-71-4) can be discovered.
Reference:
Benzisoxazole – Wikipedia,
Benzisoxazole – an overview | ScienceDirect Topics