A study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorate

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dc.contributor.authorBoeré, René T.
dc.contributor.authorZhang, Yuankui
dc.date.accessioned2015-11-25T19:17:55Z
dc.date.available2015-11-25T19:17:55Z
dc.date.issued2013
dc.descriptionSherpa Romeo green journalen_US
dc.description.abstractThe title compound, C45H70P+ ClO4 or [Tripp3PH+][ClO4 ], was produced from the perchlorate salt of the corresponding radical cation Tripp3P + through very slow H-atom abstraction reactions in a solution of 1,2-dimethoxyethane (Tripp is 2,4,6- triisopropylphenyl). The H atom on the P atom was located in a difference map and was freely refined with an isotropic displacement consistent with full occupancy [P—H = 1.37 (3) A ° ]. It is the most sterically congested triarylphosphonium salt yet to be reported and has a ‘propeller’ arrangement of the three Tripp groups around the P atom, with the protonation site located along the molecular threefold axis. There are short contacts between the flanking isopropyl methine H atoms and the P atom [P H = 1.99 (2)– 2.17 (2) A ° ]. The sum of the angles around the P atom [ (C—P—C) = 349.9 (6) ] is a convenient index of pyramidality for tricoordinate centres. This value is significantly larger than in analogous Mes3PH+ salts (Mes is mesityl or 2,4,6- trimethylphenyl), for which the average of the three reported structures in the literature is (C—P—C) = 345.3 (6) . For comparison, in the ubiquitous Ph3PH+ salts, this parameter has a typical average value of only 333.3 (9) . The value of (C— P—C) in the title compound is midway between that of the neutral phosphane Tripp3P [334.4 (6) ] and the phosphoniumyl radical cation Tripp3P + [359.8 (2) ]. This geometrical feature provides additional support for the assignment as a phosphonium salt.en_US
dc.description.peer-reviewYesen_US
dc.identifier.citationBoere, R. T., & Zhang, Y. (2013). A study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorate. Acta Crystallographical Section C, Crystal Structure Communications, C69, 1051-1054. doi:10.1107/S0108270113020647en_US
dc.identifier.urihttps://hdl.handle.net/10133/3794
dc.language.isoen_CAen_US
dc.publisherInternational Union of Crystallographyen_US
dc.publisher.departmentDepartment of Chemistry and Biochemistryen_US
dc.publisher.facultyArts and Scienceen_US
dc.publisher.institutionUniversity of Lethbridgeen_US
dc.subjectCrystal structureen_US
dc.subjectTriarylphosphonium ionsen_US
dc.subjectPyramidality indexen_US
dc.subjectPhosphoniumyl radical cationsen_US
dc.titleA study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorateen_US
dc.typeArticleen_US
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