π effects involving Rh-PZ3 compounds.: The quantitative analysis of ligand effects (QALE)

被引：51
作者：
Wilson, MR
Prock, A
Giering, WP
Fernandez, AL
Haar, CM
Nolan, SP
Foxman, BM
机构：
[1] Boston Univ, Dept Chem, Metcalf Sci & Engn Ctr, Boston, MA 02215 USA
[2] Merrimack Coll, Dept Chem, N Andover, MA 01845 USA
[3] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA
[4] Brandeis Univ, Dept Chem, Waltham, MA 02154 USA
来源：
ORGANOMETALLICS | 2002年 / 21卷 / 13期
关键词：
D O I：
10.1021/om011035q
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Through the quantitative analysis of ligand effects (QALE), we have probed pi effects associated with Rh-P bond lengths, nu(CO), and -DeltaH(rx) for Rh(CO)(Cl)(PX3)(2) and nu(CO) and -DeltaH(rx) for Rh(acac)(CO)(PZ(3)). It was found that pi effects are complex and depend strongly on the nature of ancillary or other participatory groups. The results of the QALE analysis of -DeltaH(rx) point out the importance of synergistic interactions between PZ3 and other ancillary ligands in accord with theoretical computations. Literature data for Rh(CO)(Cl)(PZ3)2 have been supplemented with new values of DeltaH(rx) for PMe3 (-75.6 +/- 0.3 kcal/mol), P(i-Pr)(3) (-68.7 +/- 0.3 kcal/mol), and PCy3 (-66.4 +/- 0.4 kcal/mol) as well as crystal structures for Rh(CO)(Cl)(P(i-Pr-3))(2) (Rh-P = 2.34880 Angstrom) and Rh(CO)(Cl)(PCy3)(2) (Rh-P = 2.3508(3)).
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页码：2758 / 2763
页数：6
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