Structural and energetic properties of haloacetonitrile - GeF₄ complexes

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• 作者：Anna W. Waller^a ; Nicole M. Weiss^a ; Daniel A. Decato^b ; James A. Phillips^a ; ^{phillija@uwec.edu}
• 关键词：Molecular complexes ; Donor-acceptor complexes ; Charge-transfer complexes ; Low-temperature IR spectra ; Medium effects ; Gas-solid structure differences
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1130
• 期：Complete
• 页码：984-993
• 全文大小：1515 K
• 卷排序：1130

文摘

Haloacetonitrile – GeF4 complexes are prone to structural change in condensed phases. Ge-N bonds are much longer and weaker with FCH2CN and ClCH2CN in place of CH3CN. Ge-N potentials for FCH2CN–GeF4 and ClCH2CN–GeF4 change shape in dielectric media. The Ge-N bonds for (FCH2CN)2–GeF4 compress by about 0.3 Å upon solidification. IR spectra of nitrile/GeF4 films convey structural changes in the solid 2:1 complexes.