Graphite Carbon Nitride Photocatalysis For Organic Transformation And Topological Analysis

In the past decades,photocatalytic organic reactions have drawn huge attention in which clean and sustainable visible light is applied as an energy source.In most of the reported photocatalytic organic transformations,an efficient photocatalyst is needed to absorb the energy of visible light.Therefore,the development of an efficient and stable photocatalyst is highly desirable.Considering that the traditional homogeneous photocatalysts like noble metal complexes and organic dyes cannot be recycled after the reactions,we herein would like to develop an inexpensive and stable heterogeneous catalytic system based on graphite carbon nitride(g-C3N4)for photocatalytic organic transformation and then figure out the structure-activity relationship.Overall,the main contents of this thesis could be divided into two parts:1)Cu@C3N4-photocatalyzed aerobic hydroxylation of aryl boronic acidsA series of heterogeneous photocatalysts dependent on the copper-doped g-C3N4 were first synthesized from various inexpensive copper salts and bulk g-C3C4 Then,it was found that the catalyst prepared from copper(Ⅱ)tartrate and bulk g-C3N4,namely Cu@C3N4-4,is an efficient photocatalyst for the oxidative hydroxylation of aryl boronic acids into phenols under room temperature in the illumination of 460 nm blue light.The reactions were conducted smoothly using water as a green solvent and air as a green oxidant.Accordingly,various phenols were efficiently obtained as products in a short reaction time.The mechanistic studies revealed that the O-atom of the phenol product originated from oxygen.Significantly,this heterogeneous catalyst can be recovered and utilized five times,suggesting its stability and great potential in photocatalytic transformations.2)Quantitative description of the structures of graphite carbon nitrideWe computed the calculation formulae of the co-indices for Graphite carbon nitride gC3N4.Let G be the molecular graph which is a simple connected graph with vertex(atom)set V(G)and edge(bond)set E(G)respectively.The degree p(v)of a vertex v ∈ V(G)is the number of neighbor vertices to v.A graph G is called regular of degree r if each vertex of G precisely has r-neighbors.The m of a graph G which is denoted by G is the simple graph with the same vertex set V(G)and any two vertices uv ∈ E(G)if and only if uv (?) E(G).The open neighborhood of the v vertex,denoted by N(v),is a collection of all vertices adjacent to the v vertex.The closed neighborhood of v,denoted by N[v],describes the union of v vertex with open neighborhood N(v)of v vertex.The ev-degree,denoted by Λev(e),of any edge e=uv ∈ E is the total vertices quantity of the closed neighborhoods union of u and v vertexes.The ve-degree,denoted by Λve(v),of any vertex v ∈ V is the number of different edges that appear to any vertex in the closed neighborhood of v.We have computed topological indices based on ev-degree and vedegree for the graphite carbon nitride(g-C3N4)molecular structure.We have utilized the combinatorial processing strategy,edge partition technique,vertex partition strategy,and entirety techniques of degree neighbors.Moreover,MATLAB programming has been utilized for numerical computations and checks.We likewise utilized the maple for plotting these numerical outcomes.