In the exploration of synthesizing graphitic carbon nitride (g-CN), the existence of secondary anime bridging units shows the incompleteness of related theories. Thus, taking the thermal synthesis of melamine as an example, this work finds a possible reaction path with Density Functional Theory (DFT) for forming melem during the thermal synthesis of g-CN. Combined with transition state theory (TST), it indicates that the formation of melem results from the condensation of melamine and isomerization of melam. Meanwhile, the weak signal near 2135 cm in the Fourier Transform Infrared Spectra (FTIR) corresponds to the vibration of carbodi-imines (-N[double bond, length as m-dash]C[double bond, length as m-dash]N-), which further proves the proposed reaction path. Thus, this work can explain the formation of g-CN and its monomer, which may contribute to the successful formation of ideal g-CN in the future.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9412154 | PMC |
http://dx.doi.org/10.1039/d2ra03337b | DOI Listing |
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