轮烯

采用密度泛函理论B3LYP方法计算了一种非血红素四氮杂轮烯配合物催化H2O2歧化的反应机理。

The reaction mechanism of H2O2 dismutation catalyzed by a non-heme tetraaza annulene complex has been investigated by density functional theory using the B3LYP functional .

1，6-亚甲基架桥[10]轮烯衍生物的合成及性质的研究

Syntheses and Properties of 1 , 6-Methano [ 10 ] Annulene Derivatives

合成了四氮杂轮烯（TAA）及其Cu，Ni和Co络合物。

Tetraazaannulene ( TAA ) and its Cu , Ni and Co complexes were synthesised .

轮烯稳定性的价键理论研究

Valence Bond Study of the Stability of Cyclenes

烷基取代[14]轮烯、[18]轮烯和卟吩的异构体计数

Enumeration of Isomers of Alkyl Substituted [ 14 ] Annulene , [ 18 ] Annulene and Porphine

二苯并四氮杂[14]轮烯金属配合物电子结构和性质

The Electronic Structure and Properties of 5,14-Dihydro-6,8,15,17-tetramethydibenzo [ b , I ] [ 1,4,8,11 ] tetraaza [ 14 ] annulene and Its Metal Complexes

随着侵害处理程度的加深，1,6-亚甲基轮烯等9种物质含量增加，而芳樟醇等8种物质含量则下降；

With the increase of the stress , the contents of 9 aromatic constituents like 1,6-methylene annulene increased , whereas those of 8 constituents as linalool decreased .

定域分子轨道分析表明，酞菁骨架中16轮烯型的共轭体系在配位后共轭程度降低，形成多个较小的共轭结构。

The analysis of localized molecular orbitals indicates that the conjugation degree of 16-annulene π electronic structure in phthalocyanine skeleton is decreased after coordination , forming smaller conjugation structures .