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)

Cundari, Thomas R.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.

doi:10.1039/C7DT04145D

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)

Abstract

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.

Authors:

Cundari, Thomas R. ^[1]; Jacobs, Brian P. ^[2]; MacMillan, Samantha N. ^[2];

^[2]

Department of Chemistry, CASCaM, University of North Texas, Denton, USA
Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, USA

Publication Date:: 2018-01-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1434383

Grant/Contract Number:: FG02-03ER15387

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Dalton Transactions

Additional Journal Information:: Journal Name: Dalton Transactions Journal Volume: 47 Journal Issue: 17; Journal ID: ISSN 1477-9226

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Cundari, Thomas R., Jacobs, Brian P., MacMillan, Samantha N., and Wolczanski, Peter T. 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).  United Kingdom: N. p., 2018. 
Web.  doi:10.1039/C7DT04145D.

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                    Cundari, Thomas R., Jacobs, Brian P., MacMillan, Samantha N., & Wolczanski, Peter T. 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).  United Kingdom.  https://doi.org/10.1039/C7DT04145D

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                    Cundari, Thomas R., Jacobs, Brian P., MacMillan, Samantha N., and Wolczanski, Peter T. Mon .  
"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)".  United Kingdom.  https://doi.org/10.1039/C7DT04145D.

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@article{osti_1434383,

  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)},

  author       = {Cundari, Thomas R. and Jacobs, Brian P. and MacMillan, Samantha N. and Wolczanski, Peter T.},

  abstractNote = {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.},

  doi          = {10.1039/C7DT04145D},

  journal      = {Dalton Transactions},

  number       = 17,

  volume       = 47,

  place        = {United Kingdom},

  year         = {2018},

  month        = {1}

}

Copy to clipboard

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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)

Abstract

Citation Formats

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Transition metal bicyclo[2.2.1]hept-1-yls journal, April 1972

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London Dispersion Decisively Contributes to the Thermodynamic Stability of Bulky NHC-Coordinated Main Group Compounds
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London Dispersion in Molecular Chemistry-Reconsidering Steric Effects
journal, August 2015

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The Development of L ₂ X ₂ RuCHR Olefin Metathesis Catalysts: An Organometallic Success Story
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Crystal and molecular structures of transition metal complexes with N- and C-bonded diazoalkane ligands
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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)
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journal, January 1959

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Wavelike charge density fluctuations and van der Waals interactions at the nanoscale
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Ligand–Substrate Dispersion Facilitates the Copper-Catalyzed Hydroamination of Unactivated Olefins
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journal, April 1972

Rhodium–Carbon Bond Energies in Tp′Rh(CNneopentyl)(CH ₂ X)H: Quantifying Stabilization Effects in M–C Bonds
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