In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Efficient tuning of benzocarbazole based small donor molecules with D-π-A-π-D configuration for high-efficiency solar cells via π-bridge manipulation: A DFT/ TD-DFT study, published in 2022-02-28, which mentions a compound: 288-42-6, Name is Oxazole, Molecular C3H3NO, Synthetic Route of C3H3NO.
Nine new donor mols. BCi (i = 1-9) of type D-π-A-π-D are explored to study their application to improve the efficiency of OSCs. These designed mols. contain a central diketopyrrolopyrrole acceptor linked to two terminal benzocarbazole donors by different π-bridges. Using d. functional theory (DFT) and time-dependent DFT (TD-DFT) methods, various parameters like FMO, NBO, DOS anal., absorption maxima, and ICT parameters have been estimated to evaluate the performance of newly designed mols. Our investigations reveal that the modification of the π-bridges has a great effect on the optoelectronic and photovoltaic properties of the compounds In this regard, it should be noted that the donor mol. BC6 with the π-spacer moiety thiazolothiazole exhibits a narrow band gap, a broad absorption spectrum, a better LHE, a lower values for λtot, ΔEL-L and chem. parameters, an acceptable Voc and a higher value of EA. Thus, they can be utilized as an electron-donating in photovoltaic applications.
Here is just a brief introduction to this compound(288-42-6)Synthetic Route of C3H3NO, more information about the compound(Oxazole) is in the article, you can click the link below.
Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem