论文部分内容阅读
本文提出了一个.计算共价氢化物分子中 A—H键振动频率γ_(A-H)的新公式γ_(A-H)=1119Φ-10.5N+610 (cm~(-1))为了计算 Y≠H时的氢化物分子中 A—H键的振动频率γ_(A-H),本文还建立了一个计算基团电负性的新方法X_G=0.925[X_A+1/N_A sum from m=1 to (X_AX_(Ym)~(1/2)-X_A)]并对19个 H_mA—H(Y=H)型分子和55个 Y_mA—H(Y≠H)型分子中 A—H键的振动频率进行了计算,其结果与实验值接近程度较好.还从理论上作了简约的推证,新方法是可靠的,正确的,具有一定理论和实用价值。
In this paper, a new formula γ_ (AH) = 1119Φ-10.5N + 610 (cm ~ (-1)) for calculating the vibration frequency γ_ (AH) of A-H bonds in a covalent hydride molecule is proposed. In order to calculate Y ≠ H In this paper, we also establish a new method to calculate the electronegativity of a group X_G = 0.925 [X_A + 1 / N_A sum from m = 1 to (X_AX_ (Ym ) ~ (1/2) -X_A)], the vibrational frequencies of A-H bonds in 19 H_mA-H (Y = H) and 55 Y_mA-H The result is close to the experimental value, and a simple deduction is also made in theory. The new method is reliable, correct and has certain theoretical and practical value.