The Experts below are selected from a list of 711 Experts worldwide ranked by ideXlab platform

Peter B Hitchcock - One of the best experts on this subject based on the ideXlab platform.

Geoffrey F N Cloke - One of the best experts on this subject based on the ideXlab platform.

Neil A Morleysmith - One of the best experts on this subject based on the ideXlab platform.

Matthew C Kuchta - One of the best experts on this subject based on the ideXlab platform.

Harry C Dorn - One of the best experts on this subject based on the ideXlab platform.

  • Enhanced Dipole Moments in Trimetallic Nitride Template Endohedral Metallofullerenes with the Pentalene Motif
    2016
    Co-Authors: Jianyuan Zhang, Daniel W Bearden, Tim Fuhrer, Tianming Zuo, Harry C Dorn
    Abstract:

    Although not found to date in empty-cage fullerenes, the fused pentagon motifs (Pentalenes) are allowed in endohedral metallofullerenes (EMFs). We have found that members of the trimetallic nitride template (TNT) EMF Y3N@C2n (n = 39–44) family that contain Pentalene motifs exhibit significant dipole moments. This finding is predicted to be significant for other EMFs with a metal atom orientated toward the Pentalene motif. Chromatographic retention data and computational results for Y3N@C2-C78, Y3N@Cs-C82, and Y3N@Cs-C84 are examples that Pentalene groups lead to a significant induced dipole moment (∼1D). A special case is the Y3N@C2-C78 that contains two Pentalenes in a relatively small cage. The 13C NMR spectrum for Y3N@C2-C78 exhibits strongly deshielded signals for the fullerene cage (155–170 ppm) supporting the presence of the Pentalene motif. In addition, a lengthening of the covalent M–N bond in the internal M3N cluster is found for all reported TNT EMFs that contain one or two Pentalene motifs

  • enhanced dipole moments in trimetallic nitride template endohedral metallofullerenes with the Pentalene motif
    Journal of the American Chemical Society, 2013
    Co-Authors: Jianyuan Zhang, Daniel W Bearden, Tim Fuhrer, Liaosa Xu, Wujun Fu, Harry C Dorn
    Abstract:

    Although not found to date in empty-cage fullerenes, the fused pentagon motifs (Pentalenes) are allowed in endohedral metallofullerenes (EMFs). We have found that members of the trimetallic nitride template (TNT) EMF Y3N@C2n (n = 39–44) family that contain Pentalene motifs exhibit significant dipole moments. This finding is predicted to be significant for other EMFs with a metal atom orientated toward the Pentalene motif. Chromatographic retention data and computational results for Y3N@C2-C78, Y3N@Cs-C82, and Y3N@Cs-C84 are examples that Pentalene groups lead to a significant induced dipole moment (∼1D). A special case is the Y3N@C2-C78 that contains two Pentalenes in a relatively small cage. The 13C NMR spectrum for Y3N@C2-C78 exhibits strongly deshielded signals for the fullerene cage (155–170 ppm) supporting the presence of the Pentalene motif. In addition, a lengthening of the covalent M–N bond in the internal M3N cluster is found for all reported TNT EMFs that contain one or two Pentalene motifs.

  • enhanced dipole moments in trimetallic nitride template endohedral metallofullerenes with the Pentalene motif
    Journal of the American Chemical Society, 2013
    Co-Authors: Jianyuan Zhang, Daniel W Bearden, Tianming Zuo, Timothy J Fuhrer, Harry C Dorn
    Abstract:

    Although not found to date in empty-cage fullerenes, the fused pentagon motifs (Pentalenes) are allowed in endohedral metallofullerenes (EMFs). We have found that members of the trimetallic nitride template (TNT) EMF Y3N@C2n (n = 39-44) family that contain Pentalene motifs exhibit significant dipole moments. This finding is predicted to be significant for other EMFs with a metal atom orientated toward the Pentalene motif. Chromatographic retention data and computational results for Y3N@C2-C78, Y3N@Cs-C82, and Y3N@Cs-C84 are examples that Pentalene groups lead to a significant induced dipole moment (∼1D). A special case is the Y3N@C2-C78 that contains two Pentalenes in a relatively small cage. The (13)C NMR spectrum for Y3N@C2-C78 exhibits strongly deshielded signals for the fullerene cage (155-170 ppm) supporting the presence of the Pentalene motif. In addition, a lengthening of the covalent M-N bond in the internal M3N cluster is found for all reported TNT EMFs that contain one or two Pentalene motifs.