Synthesis of the RuIV amido complex [TpRu(CO)(PPh3)(NHPh)][OTf]2 (Tp = hydridotris(pyrazolyl)borate; OTf = trifluoromethanesulfonate) and deprotonation to form an octahedral and d4 imido complex: computational study of RuIV–imido bonding

K. N. Jayaprakash; Aaron M. Gillepsie; T. Brent Gunnoe; David P. White

doi:10.1039/B110999E

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Synthesis of the Ru^IV amido complex [TpRu(CO)(PPh₃)(NHPh)][OTf]₂ (Tp = hydridotris(pyrazolyl)borate; OTf = trifluoromethanesulfonate) and deprotonation to form an octahedral and d⁴ imido complex: computational study of Ru^IV–imido bonding†

K. N. Jayaprakash,^a Aaron M. Gillepsie,^b T. Brent Gunnoe*^a and David P. White*^b

Author affiliations

* Corresponding authors

^a Department of Chemistry, North Carolina State University, Campus Box 8204, Raleigh, NC, USA
E-mail: brent_gunnoe@ncsu.edu

^b Department of Chemistry, University of North Carolina at Wilmington, 601 South College Road, Wilmington, NC, USA
E-mail: whitedp@uncwil.edu

Abstract

Deprotonation of [TpRu(CO)(PPh₃)(NHPh)][OTf]₂ yields the thermally unstable d⁴ imido complex [TpRu(CO)(PPh₃)(NPh)][OTf]; a computational study of the bonding of the imido complex provides a foundation for discussion of its instability in terms of π-conflict.

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Supplementary files

Experimental procedures, Table S1 comparing calculated structural parameters for complex 2 versus data from the CSD and references DOC (49K)

Additions and corrections

Correction HTM (5K)

Article information

DOI: https://doi.org/10.1039/B110999E
Article type: Communication
Submitted: 04 Dec 2001
Accepted: 09 Jan 2002
First published: 29 Jan 2002

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Chem. Commun., 2002, 372-373

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Synthesis of the Ru^IV amido complex [TpRu(CO)(PPh₃)(NHPh)][OTf]₂ (Tp = hydridotris(pyrazolyl)borate; OTf = trifluoromethanesulfonate) and deprotonation to form an octahedral and d⁴ imido complex: computational study of Ru^IV–imido bonding

K. N. Jayaprakash, A. M. Gillepsie, T. B. Gunnoe and D. P. White, Chem. Commun., 2002, 372 DOI: 10.1039/B110999E

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