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Title: Dispersion forces play a role in (Me 2 IPr)Fe(NAd)R 2 (Ad = adamantyl; R = neo Pe, 1-nor) insertions and Fe–R bond dissociation enthalpies (BDEs)

Journal Article · · Dalton Transactions
DOI: https://doi.org/10.1039/C7DT04145D · OSTI ID:1434383
 [1];  [2];  [2]; ORCiD logo [2]
  1. Department of Chemistry, CASCaM, University of North Texas, Denton, USA
  2. Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, USA
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Calculations show that dispersion forces in four-coordinate (Me 2 IPr)Fe(NAd)(1-nor) 2 ( 2b ) contribute to greater D(FeR) and subtly slow its migratory insertion relative to the neopentyl analogue.

Sponsoring Organization:
USDOE
Grant/Contract Number:
FG02-03ER15387
OSTI ID:
1434383
Journal Information:
Dalton Transactions, Journal Name: Dalton Transactions Journal Issue: 17 Vol. 47; ISSN 1477-9226; ISSN ICHBD9
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

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Rare Examples of Fe(IV) Alkyl-Imide Migratory Insertions: Impact of Fe—C Covalency in (Me 2 IPr)Fe(═NAd)R 2 (R = neo Pe, 1-nor) journal August 2017
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