| 引用本文: | 姜宗福,杨丽佳,王立君,等.C76、C78、C82、C84和C90的π电子磁化率.[J].国防科技大学学报,1995,17(1):81-86.[点击复制] |
| Jiang Zongfu,Yang Lijia,Wang Lijun,et al.The π Electron magnetic Susceptibility of C76、C78、C82、C84and C90[J].Journal of National University of Defense Technology,1995,17(1):81-86[点击复制] |
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| C76、C78、C82、C84和C90的π电子磁化率 |
| 姜宗福, 杨丽佳, 王立君, 靳春鹰, 钟海荣, 李强 |
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(国防科技大学 应用物理系 湖南 长沙 410073)
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| 摘要: |
| 采用规范不变分子轨道方法，计算了 D2-C76、C2v-和 D3-C78、C2-C82、D2-和D2d-C84以及C2-C90的π电子磁化率。其结果表明这些纯碳原子团簇分子具有较大的抗磁磁化率。反映出这些分子具有一定的芳香性及其π电子有较大的共有化运动程度。 |
| 关键词: 规范不变分子轨道方法、碳原子团簇、磁化率 |
| DOI： |
| 投稿日期：1994-07-05 |
| 基金项目: |
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| The π Electron magnetic Susceptibility of C76、C78、C82、C84and C90 |
| Jiang Zongfu, Yang Lijia, Wang Lijun, Jin Chunying, Zhong Hairong, Li Qiang |
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(Department of Applied Physics, National University of Defense Technology，Changsha，410073)
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| Abstract: |
| The π electron magnetic susceptibility of D2-C76、C2v-and D3-C78、C2-C82、D2-and D2d-C84and C2-C90 is calculated with Gauge invariant molecular orbitals method. The calculation results show that these carbon Cluster molecules have large diamagnetic susceptibility. Thus the π electrons of these molecules have large delocal motion and aromatic character. |
| Keywords: Gauge invariant molecular orbitals method,carbor cluster,susceptibility |
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