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Gold(<scp>iii</scp>) derivatives as the noncovalent interaction donors: theoretical study of the π-hole regium bonds

Jiajing YanCollege of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang, 050024, P. R. ChinaYanli ZengHebei Key Laboratory of Inorganic Nano-materials, Hebei Normal University, Shijiazhuang, 050024, P. R. ChinaLingpeng MengCollege of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang, 050024, P. R. ChinaXiaoyan LiHebei Key Laboratory of Inorganic Nano-materials, Hebei Normal University, Shijiazhuang, 050024, P. R. ChinaXueying ZhangCollege of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang, 050024, P. R. China
2023en
ABI

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, weak face-to-face π-π stacking interactions are also present, in addition to regium bonds. The trimers displayed a slightly negative cooperativity in comparison to the dimers.

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