A Catalytically Active, Charge-Neutral Rh(I) Zwitterion Featuring a
P,N-Substituted “Naked” Indenide Ligand
Mark Stradiotto,*
†
Judy Cipot
†
and Robert McDonald
‡
†
Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canada B3H 4J3
‡
X-Ray Crystallography Laboratory, Department of Chemistry, University of Alberta,
Edmonton, Alberta, Canada T6G 2G2
E-mail: mark.stradiotto@dal.ca
SUPPORTING INFORMATION
1. Experimental Section.
2. Figure 1a. Perspective view of [RhCl(η
4
–1,5-cyclooctadiene){κ
1
–(1-
i
Pr
2
P -2-Me
2
N-indene)}],
2a•CH
2
Cl
2
, showing the atom labeling scheme.
3. Figure 2a. Alternate view of 2a•CH
2
Cl
2
, with hydrogen atoms omitted.
4. Table 1a. Crystallographic Experimental Details for 2a•CH
2
Cl
2
.
5. Table 2a. Atomic Coordinates and Equivalent Isotropic Displacement Parameters for 2a•CH
2
Cl
2
.
6. Table 3a. Selected Interatomic Distances for 2a•CH
2
Cl
2
.
7. Table 4a. Selected Interatomic Angles for 2a•CH
2
Cl
2
.
8. Table 5a. Torsional Angles for 2a•CH
2
Cl
2
.
9. Table 6a. Anisotropic Displacement Parameters for 2a•CH
2
Cl
2
.
10. Table 7a. Derived Atomic Coordinates and Displacement Parameters for H-atoms for 2a•CH
2
Cl
2
.
11. Figure 1b. Perspective view of the [Rh(η
4
–2,5-norbornadiene){κ
2
–(3-
i
Pr
2
P -2-Me
2
N -indene)}]
+
complex ion in 3b•C
4
H
8
O showing the atom labeling scheme.
12. Table 1b. Crystallographic Experimental Details for 3b•C
4
H
8
O.
13. Table 2b. Atomic Coordinates and Equivalent Isotropic Displacement Parameters for 3b•C
4
H
8
O.
14. Table 3b. Selected Interatomic Distances for 3b•C
4
H
8
O.
15. Table 4b. Selected Interatomic Angles for 3b•C
4
H
8
O.
16. Table 5b. Torsional Angles for 3b•C
4
H
8
O.
17. Table 6b. Anisotropic Displacement Parameters for 3b•C
4
H
8
O.
18. Table 7b. Derived Atomic Coordinates and Displacement Parameters for H-atoms for 3b•C
4
H
8
O.
19. Figure 1c. Perspective view of the [Rh(η
4
–1,5-cyclooctadiene){κ
2
–(3-
i
Pr
2
P -2-Me
2
N -indenide)}]
molecule, 4, showing the atom labeling scheme.
20. Table 1c. Crystallographic Experimental Details for 4.
21. Table 2c. Atomic Coordinates and Equivalent Isotropic Displacement Parameters for 4.
22. Table 3c. Selected Interatomic Distances for 4.
23. Table 4c. Selected Interatomic Angles for 4.
24. Table 5c. Torsional Angles for 4.
25. Table 6c. Least-Squares Planes in 4.
26. Table 7c. Anisotropic Displacement Parameters for 4.
27. Table 8c. Derived Atomic Coordinates and Displacement Parameters for H-atoms for 4.
S1