Steric Switching From Photochemical to Thermal N2 Splitting: A Computational Analysis of the Isomerization Reaction {(Cp*)(Am)Mo}2(μ-η1:η1-N2) → {(Cp*)(Am)Mo}2(μ-N)2

Steric Switching From Photochemical to Thermal N2 Splitting: A Computational Analysis of the Isomerization Reaction {(Cp*)(Am)Mo}2(μ-η1:η1-N2) → {(Cp*)(Am)Mo}2(μ-N)2

A μ-η1:η1-N2-bridged Mo dimer, {(η5-C5Me5)[N(Et)C(Ph)N(Et)]Mo}2(μ-N2), cleaves dinitrogen thermally resulting in a crystallographically characterized bis-μ-N-bridged dimer, {(η5-C5Me5)[N(Et)C(Ph)N(Et)]Mo}2(μ-N)2. A structurally related Mo dimer with a bulkier amidinate ligand, ([N(iPr)C(Me)N(iPr)]),...

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Bibliographic Details
Main Author: Vera Krewald
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-05-01
Series:Frontiers in Chemistry
Subjects:
nitrogen fixation
molybdenum
density functional theory
isomerization thermodynamics
theoretical UV-vis spectroscopy
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00352/full

Internet

https://www.frontiersin.org/article/10.3389/fchem.2019.00352/full

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