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键合与隧穿

Bonding and Tunneling.

作者信息

Wager John F, Keszler Douglas A

机构信息

School of EECS, Oregon State University, Corvallis, Oregon 97331-5501, United States.

Department of Chemistry, Oregon State University, 153 Gilbert Hall, Corvallis, Oregon 97331-4003, United States.

出版信息

ACS Omega. 2023 Jun 12;8(25):23182-23190. doi: 10.1021/acsomega.3c02736. eCollection 2023 Jun 27.

Abstract

Quantum mechanical electron tunneling is proposed as the mediator of chemical bonding. Covalent, ionic, and polar covalent bonds all rely on quantum mechanical tunneling, but the nature of tunneling differs for each bond type. Covalent bonding involves bidirectional tunneling across a symmetric energy barrier. Ionic bonding occurs by unidirectional tunneling from the cation to the anion across an asymmetric energy barrier. Polar covalent bonding is a more complicated type of bidirectional tunneling, consisting of both cation-to-anion and anion-to-cation tunneling across asymmetric energy barriers. Tunneling considerations suggest the possibility of another type of bond-denoted polar ionic-in which tunneling involves two electrons across asymmetric barriers.

摘要

量子力学电子隧穿被认为是化学键的媒介。共价键、离子键和极性共价键都依赖于量子力学隧穿,但每种键型的隧穿性质不同。共价键涉及跨越对称能垒的双向隧穿。离子键是通过阳离子到阴离子跨越不对称能垒的单向隧穿形成的。极性共价键是一种更复杂的双向隧穿类型,包括阳离子到阴离子和阴离子到阳离子跨越不对称能垒的隧穿。隧穿因素表明存在另一种键型——极性离子键的可能性,其中隧穿涉及两个电子跨越不对称能垒。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8314/10308573/69d46e6dcb9e/ao3c02736_0002.jpg

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