Synthesis and Structure of Methylsulfanyl Derivatives of Nickel Bis(Dicarbollide) †
Abstract
:1. Introduction
2. Results and Discussion
2.1. Synthesis
2.2. X-Ray Diffraction Study
2.3. Quantum Chemical Calculations
3. Materials and Methods
3.1. General Considerations
3.2. Synthesis of Methylsulfanyl Derivatives of Nickel(III) Bis(Dicarbollide)
3.2.1. Synthesis of (Bu4N)[8,8′-(MeS)2-3,3′-Ni(1,2-C2B9H10)2]
3.2.2. Synthesis of (Bu4N)[4,4′-(MeS)2-3,3′-Ni(1,2-C2B9H10)2] (rac-isomer) and (Bu4N)[4,7′-(MeS)2-3,3′- Ni(1,2-C2B9H10)2] (meso-isomer)
3.3. X-Ray Diffraction Study
3.4. Quantum Chemical Calculations
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Sample Availability: Samples of the compounds are not available from the authors. |
M = Fe | M = Co | M = Ni | |
---|---|---|---|
C(1)H(1)···S(1′) distance, Å | 2.75 | 2.71(3) | 2.68 |
C(2)H(2)···S(1′) distance, Å | 2.69 | 2.70(3) | 2.83 |
S(1′)Me group rotation angle, º | 27.9(2) | 29.59(14) | 30.1(9) |
M···ligand plane distance, Å | 1.530(3) | 1.474(2) | 1.555(10) |
B(8′)H(8′)···S(1) distance, Å | 2.61 | 2.70(3) | 2.53 |
S(1)Me group rotation angle, º | 6.5(2) | 6.66(13) | 10.9(9) |
M···ligand plane distance, Å | 1.538(2) | 1.482(2) | 1.582(9) |
ligand rotation angle, º | 102.4(3) | 104.2(2) | 105.0(11) |
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Anufriev, S.A.; Suponitsky, K.Y.; Filippov, O.A.; Sivaev, I.B. Synthesis and Structure of Methylsulfanyl Derivatives of Nickel Bis(Dicarbollide). Molecules 2019, 24, 4449. https://doi.org/10.3390/molecules24244449
Anufriev SA, Suponitsky KY, Filippov OA, Sivaev IB. Synthesis and Structure of Methylsulfanyl Derivatives of Nickel Bis(Dicarbollide). Molecules. 2019; 24(24):4449. https://doi.org/10.3390/molecules24244449
Chicago/Turabian StyleAnufriev, Sergey A., Kyrill Yu. Suponitsky, Oleg A. Filippov, and Igor B. Sivaev. 2019. "Synthesis and Structure of Methylsulfanyl Derivatives of Nickel Bis(Dicarbollide)" Molecules 24, no. 24: 4449. https://doi.org/10.3390/molecules24244449