Location of the doped scandium ion Sc2+ and π-electron delocalization in endohedral metallofullerene Sc@C82

Journal of Molecular Structure: THEOCHEM

Volumn 587, Issue 1-3, 2002, Pages 49-56

  Narita, Susumu ^a   Yokoyama, Kohei ^a   Shibuya, Tai ichi ^a   Morikawa, Tetsuo ^b  

^a SHINSHU UNIVERSITY   (Japan)

^b JOETSU UNIVERSITY OF EDUCATION   (Japan)

Author keywords

Charge transfer; Endohedrally doped dication; Metallofullerene Sc@C82; Pauling bond order

Indexed keywords

BENZENE; CARBON; FULLERENE DERIVATIVE; METAL DERIVATIVE; SCANDIUM; SILVER;

ARTICLE; CALCULATION; CHEMICAL BINDING; COMPLEX FORMATION; ELECTRON TRANSPORT; ISOMER; MOLECULAR DYNAMICS;

EID: 0037025224     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00093-3     Document Type: Article

References (13)

1. Endohedral metallofullerenes: Theory, electrochemistry, and chemical reactions