排序方式: 共有3条查询结果,搜索用时 0 毫秒
1
1.
Ioffe IN Mazaleva ON Chen C Yang S Kemnitz E Troyanov SI 《Dalton transactions (Cambridge, England : 2003)》2011,40(41):11005-11011
Chlorination of the D(2)-C(76) fullerene under various conditions is studied in detail. It is found that, in addition to the previously known C(76)Cl(18) and C(76)Cl(34), a number of intermediate chlorides are formed, with all molecules falling into two structural types. The first type is observed in the C(76)Cl(18)-C(76)Cl(28) range, whereas further chlorination provides the C(76)Cl(30)-C(76)Cl(34) compounds of the second type exhibiting a major change in the addition motif. We also present a detailed theoretical rationalization of the previously observed skeletal rearrangement in the D(2)-C(76) that affords the non-IPR (18917)C(76)Cl(24) compound. 相似文献
2.
Facile Separation,Spectroscopic Identification,and Electrochemical Properties of Higher Trifluoromethylated Derivatives of [70]Fullerene 下载免费PDF全文
Maria P. Kosaya Alexey V. Rybalchenko Dr. Natalia S. Lukonina Olga N. Mazaleva Dr. Ilya N. Ioffe Dr. Vitaliy Yu. Markov Prof. Dr. Sergey I. Troyanov Prof. Dr. Lev N. Sidorov Dr. Nadezhda B. Tamm Dr. Alexey A. Goryunkov 《化学:亚洲杂志》2018,13(15):1920-1931
We survey the structure and electronic properties of the family of higher trifluoromethylated C70(CF3)n molecules with n=14, 16, 18, and 20. Twenty‐two available compounds, of which thirteen are newly obtained and characterized, demonstrate the broad diversity of π‐system topologies, which enabled us to study the interplay between the CF3 addition pattern and the electronic properties. UV/Vis spectroscopic and cyclic voltammetric studies demonstrate the importance of the exact addition pattern rather than the plain number of addends. Of particular interest is the skew pentagonal pyramid (SPP) addition pattern, which enables formation of closed‐shell cyclopentadienyl anions C70(CF3)n? 1 ? through CF3 detachment upon electron transfer. A detailed study of the process is presented for a SPP‐C70(CF3)16 where potentiostatic electrolysis at the second reduction potential gives C70(CF3)15? oxidizable to a persistent C70(CF3)15· radical. Together with the literature data for the lower C70(CF3)n compounds with n=2–12, the present results show good correlation between the experimental boundary level positions and the DFT predictions. The compounds turn out to be electron acceptor molecular semiconductors with experimental LUMO energies and HOMO–LUMO gaps within the ranges of ?4.3 to ?3.7 eV and 1.6 to 3.3 eV, respectively, depending on the shape of the conjugated fragments. The HOMO levels fall within the range of ?5.6 to ?6.9 eV and show linear correlation with the number of addends. 相似文献
3.
In this paper, we present some new properties of the Mitra‐Wan forestry model written as a discrete‐time optimal control problem. For this problem, the set of stationary states is characterized. For the optimal long‐run management, we consider the following optimality criteria: average optimality, good control policies, bias optimality, and overtaking optimality. We establish relationships between these criteria and show that the value of average optimal policies is constant and equals the value in the optimal stationary state. 相似文献
1