Potential atropisomeric ligands, diphenylphosphane derivatives of bis-triazoles, were synthesized by direct phosphanylation of the starting bis-triazoles with chlorodiphenylphosphane. Their crystal structure was elucidated by X-ray diffractional analysis. The conformations of these compounds were modeled by DFT calculations.
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The authors are grateful to Prof. Uwe Manthe and Dr. Thorsten Tönsing of Bielefeld University, Germany, for providing access to computer cluster and GAUSSIAN-03 and TURBOMOLE software, as well as for technical support of calculations.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1697-1705, November, 2014.
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Kirilchuk, A.A., Yurchenko, A.A., Vlasenko, Y.G. et al. Synthesis and Structure of Phosphanylated Bis-Triazoles as Potential Ligands for Chiral Catalysts. Chem Heterocycl Comp 50, 1559–1566 (2015). https://doi.org/10.1007/s10593-014-1624-y
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DOI: https://doi.org/10.1007/s10593-014-1624-y