摘要：

A classification and nomenclature for 2s2phybridAO's (atomic orbitals) of any degree of hybridization is proposed, and the concepts of cohybrids, antihybrids, and orthohybrids are defined. Overlap integralsSas follows are computed and tabulated as a function of the hybridization coefficient and the interatomic‐distance parameter for the case of two like first‐row atoms:S(hβ,hβ; ρ),S(hβ,hoβ; ρ), andS(1s,hβ; ρ). (See also Figs. 1 and 2.) Herehβdenotes any 2s2phybrid, andhoβthe corresponding orthohybrid. SlaterAO's were used, and also, for selected ρ values for the case of C–C bonds,SCF AO's. In connection with this work, and extending fragmentary tables given in a previous paper, complete tables from ρ=3 to ρ=14, for the case of two like atoms, are given for the overlap integralsS(1s,2s),S(2s,2s),S(1s,2pσ),S(2s,2pσ),S(2pσ, 2pσ), andS(2pπ, 2pπ) using orthogonalized Slater 2sAO's, andcarbon SCF2pσ and 2pπAO's. Tables of Slater‐AOoverlap integralsS(1s, hβ) are given as a function of β for the radicals FH, OH, NH, and CH at their equilibrium distances, also similar tables based onSCF AO's for the case of C–H bonds of lengths 1.12, 1.09, and 1.06A. (See also Fig. 3.) The various tables and figures show that ``a little hybridization goes a long way''; that is to say, a small amount ofscharacter in apσ AO,or ofpσ character in ans AO,causes a large change inS.Applications of this fact to problems of chemical binding are briefly suggested. These will be developed in a following paper. (Also seeNote added in proofat end of this paper.)

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