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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:1539920
 [1];  [2];  [2];  [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
+ Show Author Affiliations

Calculations show that dispersion forces in four-coordinate (Me2IPr)Fe(✓NAd)(1-nor)2(2b) contribute to greater D(FeR) and subtly slow its migratory insertion relative to the neopentyl analogue.

Research Organization:
Univ. of North Texas, Denton, TX (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
FG02-03ER15387
OSTI ID:
1539920
Journal Information:
Dalton Transactions, Vol. 47, Issue 17; ISSN 1477-9226
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

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