Single-electron hydrogen bonds in the me
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Bing-Qiang Wang; Zhi-Ru Li; Di Wu; Xi-Yun Hao; Ru-Jiao Li; Chia-Chung Sun
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Article
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2003
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Elsevier Science
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English
⚖ 171 KB
The methyl radical (CH 3 ) complexes with hydrogen fluoride (HF) and ethyne (HCCH) are reported to show the existence of a single-electron hydrogen bond. Their geometrical structures are optimized at the MP2/aug-cc-pVDZ and MP2/aug-cc-pVTZ levels and C 3v stationary structures are obtained for the t