【摘要】 发现了r_HC=r_H+r_C-[0.18i（1/r_C）^1/2+0.05]和r_AB=r_A+r_B-（i/3）（r_A/r_B）^1/2两式能准确地表示氢化物中的含氢键（H-C）和其它化合物中的其它键（A-B）的单键键长(r_HC,r_AB)、共价半径（r_H,r_C,r_A,r_B）及离子性百分数（i）之间的关系。式中指定原子B的电负性比A的大。由算得的键长值估算了各种分子的约化配分函数比。更多还原

【Abstract】 It is found that the relation among single bond length (rHC, rAB), covalent radius (rH,rC,rA,rB) and percent ionic character (i) is quite accurately given by the expressionsrHC=rH+rC- (0.18i-1/2/rc +0.05) for hydrogen bond (H-C) in hydride and rAB=rA +rB -3-1 ir1/2/A r-1/2/B for bond (A-B) in other compound, in which the electronegativity of atom B is greater than that of atom A. From the calculated bond lengths the reduced partition function ratios of various molecular species are estimated.更多还原