Prediction of a Cyclic Hydrogenated Boron Molecule as a Promising Building Block for Borophane

Prediction of a Cyclic Hydrogenated Boron Molecule as a Promising Building Block for Borophane

We have extensively searched for a cyclic hydrogenated boron molecule that has a three-center two-electron bond at the center. Using first-principles calculations, we discovered a stable molecule of 2:4:6:8:-2H-1,5:1,5-μH-B<sub>8</sub>H<sub>10</sub> and propose its existence....

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Bibliographic Details
Main Authors: Yasunobu Ando, Takeru Nakashima, Heming Yin, Ikuma Tateishi, Xiaoni Zhang, Yuki Tsujikawa, Masafumi Horio, Nguyen Thanh Cuong, Susumu Okada, Takahiro Kondo, Iwao Matsuda
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Molecules
Subjects:
boron
hydrogenated boron
calculation
Online Access:https://www.mdpi.com/1420-3049/28/3/1225

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