Abstract.
On analyzing the topological structures of the three types of tetrahedral fullerenes (which consist only of triangles and hexagons), (1) C n (T d ,n=12h 2; h=1,2,…), (2) C n (T d ,n=4h 2;h=1,2,…), and (3) C n (T,n=4(h 2+hk+k 2);h>k,h,k=1,2,…), we have obtained theoretically the Infrared and Raman active modes by means of the derived formulas for the decomposition of their nuclear motions into irreducible representations, and the 13C NMR spectra with natural abundance for 13C by using the distribution functions for all of the tetrahedral (T d and T) fullerenes, respectively.
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Received: 25 May 1998 / Accepted: 30 July 1998 / Published online: 23 November 1998
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Tang, A., Li, Q. Topological structures of tetrahedral (Td and T) fullerenes with hexagonal and triangular faces and their vibration and NMR spectra. Theor Chem Acc 102, 72–77 (1999). https://doi.org/10.1007/s002140050474
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DOI: https://doi.org/10.1007/s002140050474