Oligosilastyrene-Supported Bis(arene)metal and -dimetal Complexes from Metal Vapor Synthesis.
Oligosilastyrene-Supported Bis(arene)metal and -dimetal Complexes from Metal Vapor Synthesis.
复制标题
来自金属蒸气合成的低聚苯乙烯支撑的双（芳烃）金属和双金属配合物。
DOI：
10.1002/chin.198626256
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发表时间：
1986
期刊：
影响因子：
--
通讯作者：
R. West
中科院分区：
文献类型：
--
作者：
G. Ozin;M. Andrews;R. West
C,（7/3）在收缩（4,3x1 /2, 1）；N,（8/4）在收缩（4,4 × 1/2, 2X1）；O,（8/4）在收缩（4,4 * 1/2,2X1）；P,（10/6）在收缩（4,6x1 /3, 3X1）；H(3,1)。在氢上加入了一组p函数（¿“p= 0.65）。(3)基II由基I加上在重原子C、N、O和p上的一组d函数组成，各指数选择如下：C，¿" d= 0.30；N，¿“d= 0.95；O，¿“d= 1.25；P，¿“d= 0.50。因此，基I是指饱和的s， p基，而基II还考虑了d轨道的参与。利用Boys定位准则在基I和基II水平对轨道进行定位。24
C,(7/3) in the contraction (4, 3X1/2, 1); N,(8/4) in the con-traction (4, 4X1/2, 2X1); O,(8/4) in the contraction (4, 4X1/2, 2X1); P,(10/6) in the contraction (4, 6X1/3, 3X1); H,(3, 1). A set of p functions (¿" p= 0.65) was added to the hydrogens.(3) Basis II consists of basis I plus one set of d functions at the heavy atoms C, N, O, and P. The various exponents were chosen as follows: C,¿" d= 0.30; N,¿" d= 0.95; O,¿" d= 1.25; P,¿" d= 0.50. Hence basis I refers to a saturated s, p basis while basis II accounts in addition for d orbital participation. Localization of the orbitals was performed at basis I and basis II level by using the Boys localization criterion. 24