2024-03-29T14:43:51Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1548932022-06-10T10:36:54Zcom_10261_52707com_10261_5col_10261_52708
DIGITAL.CSIC
author
Geer, Ana M.
author
López, José A.
author
Ciriano, Miguel A.
author
Tejel, Cristina
funder
Ministerio de Ciencia e Innovación (España)
funder
Ministerio de Economía y Competitividad (España)
funder
European Commission
funder
Gobierno de Aragón
2017-09-08T07:51:15Z
2017-09-08T07:51:15Z
2016
Organometallics 35(5): 799-808 (2016)
http://hdl.handle.net/10261/154893
10.1021/acs.organomet.6b00036
http://dx.doi.org/10.13039/501100003329http://dx.doi.org/10.13039/501100004837http://dx.doi.org/10.13039/501100000780http://dx.doi.org/10.13039/501100010067
Ethylene insertion into Rh-H bonds in complexes bearing an anionic fac-triphosphane ligand gives hydrido complexes, β-agostic species, or noninteracting ethyl derivatives depending on the reaction conditions. Several chemical equilibria between these species have been analyzed by NMR and DFT calculations, which revealed that they are mainly controlled by the entropy. Moreover, β-agostic species were found to be lower in enthalpy than the corresponding hydride-ethylene complexes, probably due to the steric pressure exerted by the bulky fac-triphosphane ligand.
eng
openAccess
Agostic versus terminal ethyl rhodium complexes: A combined experimental and theoretical study
artículo
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URL
https://digital.csic.es/bitstream/10261/154893/1/agosticpost.pdf
File
MD5
6bb152e542ef0b6f43aab080c841ec7c
2356897
application/pdf
agosticpost.pdf