13C NMR patterns of C36H2x fullerene hydrides
2002
Abstract
Calcns. of 13C nuclear shieldings for low-energy isomers of C36H2x (x = 2,3) suggest that it should be possible to use exptl. 13C shifts, when these become available, to distinguish the isomeric form of the underlying fullerene cage and, in the case of isomers based on the six-fold sym. cylindrical fullerene cage 36:15, the degree of polar hydrogenation. [on SciFinder (R)]
Details
Title
13C NMR patterns of C36H2x fullerene hydrides
Author(s)
Corminboeuf, Clemence ; Fowler, Patrick W. ; Heine, Thomas
Published in
Chemical Physics Letters
Volume
361
Issue
5,6
Pages
405-410
Date
2002
ISSN
0009-2614
Keywords
Density functional theory (DFTB; 13C NMR patterns of C36H2x fullerene hydrides); NMR (carbon-13; 13C NMR patterns of C36H2x fullerene hydrides); NMR (chem. shift; 13C; 13C NMR patterns of C36H2x fullerene hydrides); IGLO; Nuclear shielding (13C NMR patterns of C36H2x fullerene hydrides); Fullerenes Role: PRP (Properties) (13C NMR patterns of C36H2x fullerene hydrides); carbon NMR hydridofullerene
Note
CAN 138:55612
22-10
Physical Organic Chemistry
Department of Physical Chemistry,University of Geneva,Geneva,Switz.
Journal
written in English.
221694-70-8; 348622-28-6; 348622-33-3; 348622-34-4; 348622-35-5; 348622-36-6; 348622-37-7; 348622-38-8 Role: PRP (Properties) (Cs; 13C NMR patterns of C36H2x fullerene hydrides); 226400-81-3; 226400-84-6; 226400-86-8; 348622-27-5; 348622-29-7; 348622-30-0; 348622-31-1; 348622-32-2 Role: PRP (Properties) (C1; 13C NMR patterns of C36H2x fullerene hydrides); 348622-26-4 Role: PRP (Properties) (C2; 13C NMR patterns of C36H2x fullerene hydrides); 348622-25-3 Role: PRP (Properties) (C2h; 13C NMR patterns of C36H2x fullerene hydrides); 221694-69-5; 306963-39-3 Role: PRP (Properties) (C2v; 13C NMR patterns of C36H2x fullerene hydrides); 221694-63-9 Role: PRP (Properties) (D3h; 13C NMR patterns of C36H2x fullerene hydrides)
22-10
Physical Organic Chemistry
Department of Physical Chemistry,University of Geneva,Geneva,Switz.
Journal
written in English.
221694-70-8; 348622-28-6; 348622-33-3; 348622-34-4; 348622-35-5; 348622-36-6; 348622-37-7; 348622-38-8 Role: PRP (Properties) (Cs; 13C NMR patterns of C36H2x fullerene hydrides); 226400-81-3; 226400-84-6; 226400-86-8; 348622-27-5; 348622-29-7; 348622-30-0; 348622-31-1; 348622-32-2 Role: PRP (Properties) (C1; 13C NMR patterns of C36H2x fullerene hydrides); 348622-26-4 Role: PRP (Properties) (C2; 13C NMR patterns of C36H2x fullerene hydrides); 348622-25-3 Role: PRP (Properties) (C2h; 13C NMR patterns of C36H2x fullerene hydrides); 221694-69-5; 306963-39-3 Role: PRP (Properties) (C2v; 13C NMR patterns of C36H2x fullerene hydrides); 221694-63-9 Role: PRP (Properties) (D3h; 13C NMR patterns of C36H2x fullerene hydrides)
Laboratories
LCMD
Record Appears in
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LCMD - Laboratory of Computational Molecular Design
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Peer-reviewed publications
Work outside EPFL
Journal Articles
Published
Record creation date
2007-10-22