Influence of Environmental Fluctuations on Quantum Interference in Naphthalene and Azulene
Influence of Environmental Fluctuations on Quantum Interference in Naphthalene and Azulene
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DOI：
10.1002/smsc.202300075
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发表时间：
2023-08
期刊：
影响因子：
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通讯作者：
Jehan Alqahtani;S. Sangtarash;H. Sadeghi
中科院分区：
文献类型：
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作者：
Jehan Alqahtani;S. Sangtarash;H. Sadeghi
萘和甘菊环都具有相同的碳原子数和氢原子数，但前者是交替烃，后者是非交替烃。这导致它们的电子和输运性质存在很大差异。在这里，量子传输通过这两个分子进行研究，并显示量子干涉（QI）如何影响它们的电导。结果表明，预测QI的轨道规则在萘和甘菊环中都被打破。环境波动对它们的QI和电导的影响也进行了研究。结果表明，与萘相比，甘菊环中的QI对环境波动更为敏感。特别是，破坏性的气可以通过微小的环境波动在甘菊环中转变为建设性的气。
Both naphthalene and azulene have the same number of carbon and hydrogen atoms, but the former is an alternant hydrocarbon and the latter is a nonalternant hydrocarbon. This leads to a large difference in their electronic and transport properties. Herein, quantum transport is investigated through these two molecules and it is shown how quantum interference (QI) affects their electrical conductance. It is demonstrated that the orbital rule to predict QI breaks down in both naphthalene and azulene. The influence of environmental fluctuations on their QI and electrical conductance is also investigated. The results show that QI in azulene is more sensitive to environmental fluctuations than in naphthalene. In particular, destructive QI can be changed to constructive QI in azulene by small environmental fluctuations.