Crystal Structure of IrH(PH3)3(OH)+ and IrH(PH3)3(SH)+.
The Influence of the Counter-Ion on the Crystal Structure.

Pedro E. M. Lopesa and M.J. Calhordaa,b

aI.T.Q.B., Rua da Quinta Grande, Quinta do Marquês, 2780 Oeiras, Portugal
bInstituto Superior Técnico, Rua Rovisco Pais, 1083 Lisboa Codex, Portugal
LOPES@itqb.unl.pt


The Problem
[IMAGE]

While searching for short H-H contacts in organometallic complexes, two related compounds were found, which showed dramatically different features - IrH(PH3)3(OH)+ and IrH(PH3)3(SH)+ [1]. After that, we decided to perform DFT calculations to understand the experimental observations.

Crystal Structure Crystal Structure of IrH(PH3)3(OH)+ and IrH(PH3)3(SH)+.

Calculations Results of Density Functional Calculations.

Experimental Experimental Section.

Conclusions Conclusions.


references References.