A non-isolated pentagon rule C82 cage stabilized by a stretched Sc3N cluster [0.03%]
由拉伸的Sc3N簇稳定的非隔离五边形规则C82笼子
Min Guo,Xiaomeng Li,Yang-Rong Yao et al.
Min Guo et al.
A novel cluster fullerene, Sc3N@Cs(39 663)-C82, has been synthesized and characterized. Crystallograpic charaterization unambiguously determines the non-IPR cage structure of Cs(39 663)-C82. Structural analyses further reveal that the Sc3N ...
Zigzag Sc2C2 Carbide Cluster inside a [88]Fullerene Cage with One Heptagon, Sc2C2@Cs(hept)-C88: A Kinetically Trapped Fullerene Formed by C2 Insertion? [0.03%]
具有一个七元环的Cs(hept)-C88笼中包含Z字形Sc2C2碳化物簇：由C2插入形成的动力学陷阱富勒烯形式，Sc2C2@Cs(hept)-C88
Chia-Hsiang Chen,Laura Abella,Maira R Cerón et al.
Chia-Hsiang Chen et al.
A non-isolated pentagon rule metallic carbide clusterfullerene containing a heptagonal ring, Sc2C2@Cs(hept)-C88, was isolated from the raw soot obtained by electric arc vaporization of graphite rods packed with Sc2O3 and graphite powder under a helium atmosphere.
Different Factors Govern Chlorination and Encapsulation in Fullerenes: The Case of C66 [0.03%]
fullereneC66的氯化与嵌入机制不同：一个案例研究
Núria Alegret,Laura Abella,Khalid Azmani et al.
Núria Alegret et al.
We show here, with the help of computations at density functional theory level, that these two means of obtaining derivatives of non-isolated pentagon rule fullerenes are dictated by different factors.
Sc2@C70 rather than Sc2C2@C68: density functional theory characterization of metallofullerene Sc2C70 [0.03%]
Sc2@C70而不是Sc2C2@C68：金属富勒烯Sc2C70的密度泛函理论表征
Hong Zheng,Xiang Zhao,Wei-Wei Wang et al.
Hong Zheng et al.
With a combined methodology of quantum chemistry and statistical mechanics, our calculation results reveal that the Sc(2)C(70), which was proposed as the first metal-carbide endohedral metallofullerene with a non-isolated pentagon rule (non-IPR) cage (Sc(2)C(2)@C(68):6073_C(2v)), is in fact a C(70) non-IPR
Bingel-Hirsch reactions on non-IPR Gd3N@C2n (2n = 82 and 84) [0.03%]
非IPR构象Gd3N@C2n（2n=82和84）笼的 Bingel-Hirsch 反应
Núria Alegret,Manuel N Chaur,Eva Santos et al.
Núria Alegret et al.
The Bingel-Hirsch reactions on non-isolated pentagon rule (non-IPR) Gd(3)N@C(2n) (2n = 82, 84) are studied. Computational results show that the two metallofullerenes display similar reactivity according to their related topologies.
The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes [0.03%]
最大五元环分离规则指导内嵌金属富勒烯结构的构建
Antonio Rodríguez-Fortea,Núria Alegret,Alan L Balch et al.
Antonio Rodríguez-Fortea et al.
Now, we give physical support to the orbital rule, and we propose the maximum pentagon separation rule, which can be applied to either isolated pentagon rule cages or to non-isolated pentagon rule cages with the same number of adjacent pentagon pairs.
Charged states of Sc3N@C68: an in situ spectroelectrochemical study of the radical cation and radical anion of a non-IPR fullerene [0.03%]
非IPR富勒烯Sc3N@C68的阴阳离子物种的原位谱学电化学研究
Peter Rapta,Alexey A Popov,Shangfeng Yang et al.
Peter Rapta et al.
The charged states of the non-isolated pentagon rule fullerene are characterized furthermore by in situ absorption spectroscopy.