Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights
Abstract
Treatment of aromatic N-substituted N-heterocyclic carbenes (NHCs) with trimethyl-gallium and -indium yielded the new Lewis acid-base adducts, IMes·GaMe3 (1), SIMes·GaMe3 (2), IPr·GaMe3 (3), SIPr·GaMe3 (4), IMes·InMe3 (5), SIMes·InMe3 (6), IPr·InMe3 (7), and SIPr·InMe3 (8), with all complexes being identified by X-ray diffraction, IR, and multinuclear NMR analyses. Complex stability was found to be largely dependent on the nature of the constituent NHC ligands. Percent buried volume (%VBur) and topographic steric map analyses were employed to quantify and elucidate the observed trends. Additionally, a detailed bond snapping energy (BSE) decomposition analysis focusing on both steric and orbital interactions of the M-NHC bond (M = Al, Ga and In) has been performed.Citation
Wu MM, Gill AM, Yunpeng L, Yongxin L, Ganguly R, et al. (2017) Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights. Dalton Trans 46: 854–864. Available: http://dx.doi.org/10.1039/c6dt04448d.Acknowledgements
F. G. would like to thank NTU start-up grant (M4080552) and MOE Tier 1 grant (M4011441) for financial support. L. F. would like to thank KAUST for financial support.Publisher
Royal Society of Chemistry (RSC)Journal
Dalton TransactionsDOI
10.1039/c6dt04448dAdditional Links
http://pubs.rsc.org/en/Content/ArticleLanding/2017/DT/C6DT04448D#!divAbstractRelations
Is Supplemented By:- [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477674: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1llmxq. DOI: 10.5517/ccdc.csd.cc1llmxq HANDLE: 10754/624582 - [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477675: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1llmyr. DOI: 10.5517/ccdc.csd.cc1llmyr HANDLE: 10754/624583 - [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477676: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1llmzs. DOI: 10.5517/ccdc.csd.cc1llmzs HANDLE: 10754/624584 - [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477677: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1lln0v. DOI: 10.5517/ccdc.csd.cc1lln0v HANDLE: 10754/624585 - [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477678: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1lln1w. DOI: 10.5517/ccdc.csd.cc1lln1w HANDLE: 10754/624586 - [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477679: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1lln2x. DOI: 10.5517/ccdc.csd.cc1lln2x HANDLE: 10754/624587 - [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477681: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1lln4z. DOI: 10.5517/ccdc.csd.cc1lln4z HANDLE: 10754/624588 - [Dataset]
Wu, M. M., Gill, A. M., Yunpeng, L., Yongxin, L., Ganguly, R., Falivene, L., & García, F. (2017). CCDC 1477682: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1lln50. DOI: 10.5517/ccdc.csd.cc1lln50 HANDLE: 10754/624589