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Issue 17, 2018
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Dispersion forces play a role in (Me2IPr)Fe([double bond, length as m-dash]NAd)R2 (Ad = adamantyl; R = neoPe, 1-nor) insertions and Fe–R bond dissociation enthalpies (BDEs)

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Abstract

The effects of dispersion on migratory insertion reactions and related iron–carbon bond dissociation energies pertaining to (Me2IPr)FeR2 (R = neoPe, 1-nor), and the conversion of (Me2IPr)Fe([double bond, length as m-dash]NAd)R2 to (Me2IPr)Fe{N(Ad}R)R are investigated via calculations and structural comparisons. Dispersion appears to be an underappreciated, major contributor to common structure and reactivity relationships.

Graphical abstract: Dispersion forces play a role in (Me2IPr)Fe( [[double bond, length as m-dash]] NAd)R2 (Ad = adamantyl; R = neoPe, 1-nor) insertions and Fe–R bond dissociation enthalpies (BDEs)

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Publication details

The article was received on 02 Nov 2017, accepted on 13 Apr 2018 and first published on 16 Apr 2018


Article type: Paper
DOI: 10.1039/C7DT04145D
Citation: Dalton Trans., 2018,47, 6025-6030
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    Dispersion forces play a role in (Me2IPr)Fe([double bond, length as m-dash]NAd)R2 (Ad = adamantyl; R = neoPe, 1-nor) insertions and Fe–R bond dissociation enthalpies (BDEs)

    T. R. Cundari, B. P. Jacobs, S. N. MacMillan and P. T. Wolczanski, Dalton Trans., 2018, 47, 6025
    DOI: 10.1039/C7DT04145D

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