C72Cl4: a pristine fullerene with favorable pentagon-adjacent structure.

A long-sought empty non-IPR fullerene, (#11188)C72, which is more stable than the sole IPR isomer in the fullerene[72] family, has been retrieved and crystallographically characterized as (#11188)C72Cl4. Mass spectrometric data support the facile dechlorination of (#11188)C72Cl4 and, in turn, the possible stability of pristine (#11188)C72.

[1]  K. Raghavachari Electronic and geometric structure of C72 , 1993 .

[2]  H. W. Kroto,et al.  The stability of the fullerenes Cn, with n = 24, 28, 32, 36, 50, 60 and 70 , 1987, Nature.

[3]  Manuel Alcamí,et al.  Fullerene C50: Sphericity takes over, not strain , 2005 .

[4]  S. Nagase,et al.  Spectroscopic and theoretical study of endohedral dimetallofullerene having a non-IPR fullerene cage: Ce2@C72. , 2008, The journal of physical chemistry. A.

[5]  Nan Shao,et al.  Search for Lowest-Energy Fullerenes 2: C38 to C80 and C112 to C120† , 2007 .

[6]  Chuanbao Chen,et al.  Chlorination of C86 to C84Cl32 with nonclassical heptagon-containing fullerene cage formed by cage shrinkage. , 2010, Angewandte Chemie.

[7]  Xin Lu,et al.  Crystal structures of saturn-like C50Cl10 and pineapple-shaped C64Cl4: geometric implications of double- and triple-pentagon-fused chlorofullerenes. , 2008, Angewandte Chemie.

[8]  S. Nagase,et al.  C72 isomers: the IPR-satisfying cage is disfavored by both energy and entropy , 2004 .

[9]  Deng Shunliu,et al.  Synthetic Chemistry of Fullerenes , 2011 .

[10]  Xing Lu,et al.  Bis-carbene adducts of non-IPR La2@C72: localization of high reactivity around fused pentagons and electrochemical properties. , 2008, Angewandte Chemie.

[11]  F. Gao,et al.  Significant promotional effect of CCl4 on fullerene yield in the graphite arc-discharge reaction. , 2003, Chemical communications.

[12]  J. Cioslowski,et al.  Endohedral chemical shifts in higher fullerenes with 72–86 carbon atoms , 2001 .

[13]  Andreas Hirsch,et al.  Spherical Aromaticity in Ih Symmetrical Fullerenes: The 2(N+1)2 Rule. , 2000, Angewandte Chemie.

[14]  Yuan‐Zhi Tan,et al.  C2v-Symmetric C60 Isomer in the Gas Phase: Experimental Evidence against Buckminsterfullerene (Ih-C60) , 2009 .

[15]  S. Nagase,et al.  La@C72 having a non-IPR carbon cage. , 2006, Journal of the American Chemical Society.

[16]  Zdenek Slanina,et al.  Chemical understanding of a non-IPR metallofullerene: stabilization of encaged metals on fused-pentagon bonds in La2@C72. , 2008, Journal of the American Chemical Society.

[17]  Hisanori Shinohara,et al.  Structure of a missing-caged metallofullerene: La2@C72. , 2003, Journal of the American Chemical Society.

[18]  W. Krätschmer,et al.  Solid C60: a new form of carbon , 1990, Nature.

[19]  E. Kemnitz,et al.  Fusing pentagons in a fullerene cage by chlorination: IPR D2-C76 rearranges into non-IPR C76Cl24. , 2009, Angewandte Chemie.

[20]  D. Manolopoulos,et al.  An Atlas of Fullerenes , 1995 .

[21]  Yuan‐Zhi Tan,et al.  The stabilization of fused-pentagon fullerene molecules. , 2009, Nature chemistry.