Theoretical studies on P₁₄ cluster

P₂ + P₄ (T_d) + P₃ (C_2v) → P₁₄(C₂)(A), P₃(C_2v,)+3P₂→P₁₄ (C_2v) ( I ) (B), P₁₀(C_2v + 2P₂→P₁₄(C_2v) ( I ) (C) are designed by acting P₂, P₄ (T_d), P₈(C_2v and P₁₀ (C_2v) as the structural units. Using Gaussian-94 ab initia program, the four kinds of structural units and three configurations of P₁₄ cluster [C₃, C_2v ( I ) , C_2v( I )] are performed by full geometric optimization by choosing 6-31G*basis set. The calculated results of relative energy show that the configurations of P₁₄(C₁) and P₁₄(C_2v) ( I ) are stable. Furthermore, we design (7/2)P₄(T_d) → P₁₄(D), 7P₂→ P₁₄(E), the relative energy shows that the structure of PH (C,) is stable. The results of the three structures of the P₁₄ cluster show that the range of single bond lengths which link phosphorous atom is 0. 220∼0. 228 nm, the range of double bond lengths is 0. 200∼0. 202 nm, which are in accordance with the experimental Values.