A Structurally Characterized Cobalt(I) σ-Alkane Complex

TY - JOUR

T1 - A Structurally Characterized Cobalt(I) σ-Alkane Complex

AU - Boyd, Timothy M

AU - Tegner, Bengt

AU - Tizzard, Graham

AU - Martinez-Martinez, Antonio

AU - Neale, Samuel

AU - Hayward, Michael

AU - Coles, Simon

AU - Macgregor, Stuart

AU - Weller, Andrew S

N1 - © 2020 The Authors.

PY - 2020/4/6

Y1 - 2020/4/6

N2 - The synthesis, and x-ray structure, of a cobalt s -alkane complex, [Co(Cy 2 P(CH 2 ) 4 PCy 2 )( norbornane )][BAr F 4 ], is achieved by a single-crystal to single-crystal solid/gas hydrogenation from a norbornadiene precursor. Magnetic data show this complex to be a triplet. Periodic DFT and electronic structure analyses identify weak C-H ··· Co σ -interactions, augmented by dispersive stabilisation between the alkane ligand and the anion-microenvironment. The calculations are most consistent with a η 1 : η 1 -alkane binding mode.

AB - The synthesis, and x-ray structure, of a cobalt s -alkane complex, [Co(Cy 2 P(CH 2 ) 4 PCy 2 )( norbornane )][BAr F 4 ], is achieved by a single-crystal to single-crystal solid/gas hydrogenation from a norbornadiene precursor. Magnetic data show this complex to be a triplet. Periodic DFT and electronic structure analyses identify weak C-H ··· Co σ -interactions, augmented by dispersive stabilisation between the alkane ligand and the anion-microenvironment. The calculations are most consistent with a η 1 : η 1 -alkane binding mode.

KW - alkane complexes

KW - cobalt

KW - periodic density functional theory

KW - single crystals

KW - X-ray diffraction

UR - https://www.scopus.com/pages/publications/85079813284

U2 - 10.1002/anie.201914940

DO - 10.1002/anie.201914940

M3 - Article

C2 - 31943626

SN - 1433-7851

VL - 59

SP - 6177

EP - 6181

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 15

ER -