level of theory. Two main types of primary product ions were observed: the aqua adduct [(L)M(R)(H2O)]+ (5) and the hydroxide [(L)M(OH)]+ (7), formed via a hydrolysis reaction. A secondary product ion, arising from formation of the adduct [(L)M(OH)(H2O)]+, was also observed when L = phen, R = CH3, and M = Pt. The rates of reaction of 4 and the product branching ratios for 5 and 7 were dependent upon the
水与配位不饱和基团的反应中的有机
金属10的阳离子[(L)M(R)] +(4 ;其中L = 1,10-
菲咯啉(phen)的,新亚
铜试剂(新); M =
镍,
钯,
铂; R = CH 3,C 6 H ^ 5,CH 2 C ^ 6 ħ 5),通过
羧酸盐配合物的脱羧形成[(L)M(O 2 CR)] +,均在气相中使用的多级质量的组合检查M06 /
SDD6-31 + G(d)理论
水平的光谱实验和DFT计算。观察到两个主要类型的初级产物离子组成:AQUA加合物[(L)M(R)(H 2 O)] +(5)和氢氧化[(L)M(OH)] +(7),通过
水解反应来形成。一种二次产物离子,从形成的加合物的产生[(L)M(OH)(H 2 O)] +,还观察到,当L =苯,R = CH 3,和M =
铂。的反应速率4和产品分支比为5和7分别为依赖于的M,L的性质,和R.当L =啉和R = CH 3,氢氧化7个占优势为
镍,