Issue 17, 2018

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)

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)

Supplementary files

Article information

Article type
Paper
Submitted
02 Nov. 2017
Accepted
13 Apr. 2018
First published
16 Apr. 2018

Dalton Trans., 2018,47, 6025-6030

Author version available

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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