Supporting information for publication "Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward EH (E = H, B) Bonds"

Dataset

Description

Contents:
Multinuclear NMR spectra for compounds 1-6 and 8 S2-S16
Combined neutron/X-ray structure of the cation in [Ru(IPr)2(CO)H]BAr4F
(minor component 2a) S17
QTAIM Studies S18
TDDFT Studies S20
Computed Geometries and Computed Energies S21
BP86 S21
B3LYP S43
Structures used in QTAIM Calculations S54

Funding: EPSRC Grant number EP/J010677/1
Date made available28 Apr 2016
PublisherAmerican Chemical Society

Cite this

Macgregor, S. A. (Creator)(28 Apr 2016). Supporting information for publication "Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward EH (E = H, B) Bonds". American Chemical Society. Whittlesey_submitted_ESI_290216(.pdf). 10.1021/acs.organomet.6b00173