Abstract:
The CCSD(T)/6-311+G(3df) calculations have shown that the geometry, bond nature and stability of alkali metal–trifluoride tight ion pairs F3–M+ (M = Li, Na, K) are strongly dependent on the counterion M+ and its position in these pairs.
Citation:
I. V. Getmanskii, V. V. Koval, R. M. Minyaev, V. I. Minkin, “Dependence of the structure of alkali metal–trifluoride ion pairs F3–M+ on the counterion M+ (M = Li, Na, K)”, Mendeleev Commun., 25:6 (2015), 417–419
Linking options:
https://www.mathnet.ru/eng/mendc2429
https://www.mathnet.ru/eng/mendc/v25/i6/p417
This publication is cited in the following 6 articles:
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Karsten Sonnenberg, Lisa Mann, Frenio A. Redeker, Benjamin Schmidt, Sebastian Riedel, “Polyhalogen‐ und Polyinterhalogen‐Anionen von Fluor bis Iod”, Angewandte Chemie, 132:14 (2020), 5506
Karsten Sonnenberg, Lisa Mann, Frenio A. Redeker, Benjamin Schmidt, Sebastian Riedel, “Polyhalogen and Polyinterhalogen Anions from Fluorine to Iodine”, Angew Chem Int Ed, 59:14 (2020), 5464
Zhi Sun, Kevin B. Moore, J. Grant Hill, Kirk A. Peterson, Henry F. Schaefer, Roald Hoffmann, “Alkali-Metal Trihalides: M+X3– Ion Pair or MX–X2 Complex?”, J. Phys. Chem. B, 122:13 (2018), 3339
Zhi Sun, Henry F. Schaefer, “Vibrational frequencies, structures, and energetics of the highly challenging alkali metal trifluorides MF3 (M = Li, Na, K, Rb, and Cs)”, Phys. Chem. Chem. Phys., 20:28 (2018), 18986
Frenio A. Redeker, Alexey Kropman, Carsten Müller, Sarah E. Zewge, Helmut Beckers, Beate Paulus, Sebastian Riedel, “Theoretical investigation of the structures, stabilities and vibrational properties of triatomic interhalide ions and their alkali ion pairs”, Journal of Fluorine Chemistry, 216 (2018), 81
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