Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC) 4 (L)H] ^0/+ species (NHC = N-heterocyclic carbene; L = vacant, H 2 , N 2 , CO, MeCN, O 2 , P 4 , SO 2 , H ^- , F ^- and Cl ^- ) and their [Ru(R 2 PCH 2 CH 2 PR 2 ) 2 (L)H] ⁺ congeners.

Autor: Häller LJ; Institute of Chemical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK. S.A.Macgregor@hw.ac.uk., Mas-Marzá E; Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK. M.K.Whittlesey@bath.ac.uk., Cybulski MK; Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK. M.K.Whittlesey@bath.ac.uk., Sanguramath RA; School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, UK., Macgregor SA; Institute of Chemical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK. S.A.Macgregor@hw.ac.uk., Mahon MF; Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK. M.K.Whittlesey@bath.ac.uk., Raynaud C; Institut Charles Gerhardt, CNRS 5253, Université de Montpellier, Bâtiment 15, CC 1501, Place Eugène Bataillon, 34 095 Montpellier Cedex 5, France. Christophe.Raynaud1@umontpellier.fr., Russell CA; School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, UK., Whittlesey MK; Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, UK. M.K.Whittlesey@bath.ac.uk.

Publikováno v: Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2017 Feb 28; Vol. 46 (9), pp. 2861-2873.

Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.

Autor: Krüger A; School of Chemistry and Chemical Biology, University College Dublin, Ireland., Häller LJ, Müller-Bunz H, Serada O, Neels A, Macgregor SA, Albrecht M

Publikováno v: Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2011 Oct 14; Vol. 40 (38), pp. 9911-20. Date of Electronic Publication: 2011 Aug 30.

The influence of N-heterocyclic carbenes (NHC) on the reactivity of [Ru(NHC)(4)H](+) with H(2), N(2), CO and O(2).

Autor: Burling S; Department of Chemistry, University of Bath, Claverton Down, UK., Häller LJ, Mas-Marzá E, Moreno A, Macgregor SA, Mahon MF, Pregosin PS, Whittlesey MK

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2009 Oct 19; Vol. 15 (41), pp. 10912-23.

Activation of an alkyl C-H bond geminal to an agostic interaction: an unusual mode of base-induced C-H activation.

Autor: Häller LJ; School of Engineering and Physical Sciences, Perkin Building, Heriot-Watt University, Edinburgh, EH14 4AS, UK., Page MJ, Macgregor SA, Mahon MF, Whittlesey MK

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2009 Apr 08; Vol. 131 (13), pp. 4604-5.

A structural and theoretical investigation of equatorial cis and trans uranyl phosphinimine and uranyl phosphine oxide complexes UO2Cl2(Cy3PNH)2 and UO2Cl2(Cy3PO)2.

Autor: Häller LJ; Department of Chemistry, University College London, 20 Gordon Street, London WC1H, UK., Kaltsoyannis N, Sarsfield MJ, May I, Cornet SM, Redmond MP, Helliwell M

Publikováno v: Inorganic chemistry [Inorg Chem] 2007 Jun 11; Vol. 46 (12), pp. 4868-75. Date of Electronic Publication: 2007 May 17.