Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation

Amit Kumar; Heather C. Johnson; Thomas N. Hooper; Andrew S. Weller; Andrés G. Algarra; Stuart A. Macgregor

doi:10.1039/c4sc00735b

Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H₃B·NH₃ as probed by experiment and computation

Amit Kumar, Heather C. Johnson, Thomas N. Hooper, Andrew S. Weller^*, Andrés G. Algarra, Stuart A. Macgregor

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Multiple metal-bound oligomers in the dehydropolymerisation of H ₃B·NH₃ have been observed by electrospray- ionisation mass spectrometry and NMR spectroscopy using the catalytic metal fragment {Ir(PCy₃)₂(H)₂}⁺. A computational study suggests that sterics dictate whether multiple dehydrogenation/B-N coupling of amine-boranes H₃B·NRR'H (R, R′ = Me or H) is observed, and also demonstrates the experimentally observed requirement for additional amine-borane to promote dehydrocoupling. This journal is

Original language	English
Pages (from-to)	2546-2553
Number of pages	8
Journal	Chemical Science
Volume	5
Issue number	6
DOIs	https://doi.org/10.1039/c4sc00735b
Publication status	Published - Jun 2014

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title = "Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation",

abstract = "Multiple metal-bound oligomers in the dehydropolymerisation of H 3B·NH3 have been observed by electrospray- ionisation mass spectrometry and NMR spectroscopy using the catalytic metal fragment \{Ir(PCy3)2(H)2\}+. A computational study suggests that sterics dictate whether multiple dehydrogenation/B-N coupling of amine-boranes H3B·NRR'H (R, R′ = Me or H) is observed, and also demonstrates the experimentally observed requirement for additional amine-borane to promote dehydrocoupling. This journal is",

author = "Amit Kumar and Johnson, \{Heather C.\} and Hooper, \{Thomas N.\} and Weller, \{Andrew S.\} and Algarra, \{Andr{\'e}s G.\} and Macgregor, \{Stuart A.\}",

year = "2014",

month = jun,

doi = "10.1039/c4sc00735b",

language = "English",

volume = "5",

pages = "2546--2553",

journal = "Chemical Science",

issn = "2041-6520",

publisher = "Royal Society of Chemistry",

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T1 - Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation

AU - Kumar, Amit

AU - Johnson, Heather C.

AU - Hooper, Thomas N.

AU - Weller, Andrew S.

AU - Algarra, Andrés G.

AU - Macgregor, Stuart A.

PY - 2014/6

Y1 - 2014/6

N2 - Multiple metal-bound oligomers in the dehydropolymerisation of H 3B·NH3 have been observed by electrospray- ionisation mass spectrometry and NMR spectroscopy using the catalytic metal fragment {Ir(PCy3)2(H)2}+. A computational study suggests that sterics dictate whether multiple dehydrogenation/B-N coupling of amine-boranes H3B·NRR'H (R, R′ = Me or H) is observed, and also demonstrates the experimentally observed requirement for additional amine-borane to promote dehydrocoupling. This journal is

AB - Multiple metal-bound oligomers in the dehydropolymerisation of H 3B·NH3 have been observed by electrospray- ionisation mass spectrometry and NMR spectroscopy using the catalytic metal fragment {Ir(PCy3)2(H)2}+. A computational study suggests that sterics dictate whether multiple dehydrogenation/B-N coupling of amine-boranes H3B·NRR'H (R, R′ = Me or H) is observed, and also demonstrates the experimentally observed requirement for additional amine-borane to promote dehydrocoupling. This journal is

UR - https://www.scopus.com/pages/publications/84900343765

U2 - 10.1039/c4sc00735b

DO - 10.1039/c4sc00735b

M3 - Article

AN - SCOPUS:84900343765

SN - 2041-6520

VL - 5

SP - 2546

EP - 2553

JO - Chemical Science

JF - Chemical Science

IS - 6

ER -

Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H₃B·NH₃ as probed by experiment and computation

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