Chlorofullerenes featuring triple sequentially fused pentagons

Tan, Yuan‐Zhi; Li, Jia; Zhu, Feng; Han, Xiaopeng; Jiang, Wensheng; Huang, Rong; Zheng, Zhiping; Qian, Zhuo Zhen; Chen, Rui Ting; Liao, Zhao Jiang; Xie, Shuifen; Lü, Xin; Zheng, Lan

doi:10.1038/nchem.549

Cited by 98 publications

(91 citation statements)

References 31 publications

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“…4b) show that specific isomers (also shown in Fig. 2d-f) for Ca@C 50 and Ca@C 60 are the least reactive species to C 2 insertion, in agreement with experimental observations. In addition, we computed encapsulation energies (Supplementary Table 2), which provide estimations of the interaction between the metal atom and carbon cage in EMFs, and determine that metal atoms with high oxidation states are favoured to encapsulate smaller cages.…”

Section: Molecular Behaviour Of Pr@c 82 In Evaporated Graphite Vapoursupporting

confidence: 76%

“…As shown in Fig. 5, the smallest detectable cage(s) formed in abundance under the present conditions is M@C 50 for Group 1 elements (K, Rb, Cs), M@C 42 or M@C 44 for Group 2 elements (Ca, Sr, Ba), M@C 36 for trivalent rare earth metals (Sc, Y, La, Ce, Pr, Nd, Gd, Tb, Dy Ho, Er, Lu), although Sc@C 34 can be observed in very low abundance, M@C 44 or M@C 42 for divalent lanthanides (Sm, Eu, Yb, except Tm), and M@C 50 for Ga and In. These results also suggest that ionic radii may be a possible factor that alters EMF formation.…”

Section: Molecular Behaviour Of Pr@c 82 In Evaporated Graphite Vapourmentioning

confidence: 88%

“…2d) 47 . The unit of three sequentially fused pentagons is a linear triquinane that contains 11 carbon atoms 50 . Carbon cages require exactly 12 pentagons for closure and thus four sets of TSFPs bonded to each other would fulfill that fundamental constraint to yield a C 44 cage size.…”

Section: Molecular Behaviour Of Pr@c 82 In Evaporated Graphite Vapourmentioning

confidence: 99%

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Bottom-up formation of endohedral mono-metallofullerenes is directed by charge transfer

et al. 2014

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An understanding of chemical formation mechanisms is essential to achieve effective yields and targeted products. One of the most challenging endeavors is synthesis of molecular nanocarbon. Endohedral metallofullerenes are of particular interest because of their unique properties that offer promise in a variety of applications. Nevertheless, the mechanism of formation from metal-doped graphite has largely eluded experimental study, because harsh synthetic methods are required to obtain them. Here we report bottom-up formation of mono-metallofullerenes under core synthesis conditions. Charge transfer is a principal factor that guides formation, discovered by study of metallofullerene formation with virtually all available elements of the periodic table. These results could enable production strategies that overcome long-standing problems that hinder current and future applications of metallofullerenes.

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Section: Molecular Behaviour Of Pr@c 82 In Evaporated Graphite Vapoursupporting

confidence: 76%

Section: Molecular Behaviour Of Pr@c 82 In Evaporated Graphite Vapourmentioning

confidence: 88%

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Bottom-up formation of endohedral mono-metallofullerenes is directed by charge transfer

et al. 2014

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“…Furthermore, in addition to doubly fused pentagons found in non-IPR fullerenes, triple directly fused pentagons and more recently triple sequentially fused pentagons have been reported [259]. Therefore there is great interest in the search for the huge number of expected non-IPR fullerenes whose chemical reactivity and properties should be different from those known for IPR fullerenes [260].…”

Section: Fullerenes For Molecular Wiresmentioning

confidence: 98%

Buckyballs

Delgado

Filippone

Giacalone

et al. 2013

Topics in Current Chemistry

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Buckyballs represent a new and fascinating molecular allotropic form of carbon that has received a lot of attention by the chemical community during the last two decades. The unabating interest on this singular family of highly strained carbon spheres has allowed the establishing of the fundamental chemical reactivity of these carbon cages and, therefore, a huge variety of fullerene derivatives involving [60] and [70]fullerenes, higher fullerenes, and endohedral fullerenes have been prepared. Much less is known, however, of the chemistry of the uncommon non-IPR fullerenes which currently represent a scientific curiosity and which could pave the way to a range of new fullerenes. In this review on buckyballs we have mainly focused on the most recent and novel covalent chemistry of fullerenes involving metal catalysis and asymmetric synthesis, as well as on some of the most significant advances in supramolecular chemistry, namely H-bonded fullerene assemblies and the search for efficient concave receptors for the convex surface of fullerenes. Furthermore, we have also described the recent advances in the macromolecular chemistry of fullerenes, that is, those polymer molecules endowed with fullerenes which have been classified according to their chemical structures. This review is completed with the study of endohedral fullerenes, a new family of fullerenes in which the carbon cage of the fullerene contains a metal, molecule, or metal complex in the inner cavity. The presence of these species affords new fullerenes with completely different properties and chemical reactivity, thus opening a new avenue in which a more precise control of the photophysical and redox properties of fullerenes is possible. The use of fullerenes for organic electronics, namely in photovoltaic applications and molecular wires, complements the study and highlights the interest in these carbon allotropes for realistic practical applications. We have pointed out the so-called non-IPR fullerenes - those that do not follow the isolated pentagon rule - as the most intriguing class of fullerenes which, up to now, have only shown the tip of the huge iceberg behind the examples reported in the literature. The number of possible non-IPR carbon cages is almost infinite and the near future will show us whether they will become a reality.

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“…Depending on the disposition of the pentagons within the carbon framework, fullerenes can be divided into two distinct types, one consisting of the isolated pentagons and the other consisting of the fused pentagons [1,2].…”

Section: Introductionmentioning

confidence: 99%