Sc3N@C78: encapsulated cluster regiocontrol of adduct docking on an ellipsoidal metallofullerene sphere.
The first N-tritylpyrrolidino derivatives of D(3h) (78:5) Sc(3)N@C(78) were successfully synthesized and isolated. The addition sites for the two nearly equivalent kinetic monoadducts 1a and 1b are across two different 6,6 junction sites on the Sc(3)N@C(78) cage that are offset from the horizontal plane defined by the Sc(3)N cluster. The adducts were characterized by NMR experiments, DFT calculations and X-ray crystallographic analysis of Sc(3)N@C(78) derivative 1a. A unique finding of this study is the regiocontrol of adduct docking by the internal Sc(3)N cluster.
Cai
Ting
T
Department of Chemistry, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24060-0212, USA.
Xu
Liaosa
L
Gibson
Harry W
HW
Dorn
Harry C
HC
Chancellor
Christopher J
CJ
Olmstead
Marilyn M
MM
Balch
Alan L
AL
D018360:Crystallography, X-Ray; D037741:Fullerenes / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D017672:Nitrogen Compounds / Q000737:chemistry; D011759:Pyrrolidines / Q000737:chemistry*; D012538:Scandium / Q000737:chemistry*; D014320:Triphenylmethyl Compounds / Q000737:chemistry
D037741:Fullerenes; D017672:Nitrogen Compounds; D011759:Pyrrolidines; D014320:Triphenylmethyl Compounds; D012538:Scandium