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Published May 26, 2004 | Supplemental Material
Journal Article Open

A Tetrahedrally Coordinated L_3Fe−N_x Platform that Accommodates Terminal Nitride (Fe^(IV)_≡N) and Dinitrogen (Fe^I−N_2−Fe^I) Ligands

Abstract

A tetrahedrally coordinated L_3Fe−N_x platform that accommodates both terminal nitride (L^3Fe^(IV)_≡N) and dinitrogen (L_3Fe^I−N_2−Fe^IL_3) functionalities is described. The diamagnetic L_3Fe^(IV)_≡N species featured has been characterized in solution under ambient conditions by multinuclear NMR (^1H, ^(31)P, and ^(15)N) and infrared spectroscopy. The electronic structure of the title complex has also been explored using DFT. The terminal nitride complex oxidatively couples to generate the previously reported L_3Fe^I−N_2−Fe^IL_3 species. This reaction constitutes a six-electron transformation mediated by two iron centers. Reductive protonation of the nitride complex releases NH_3 as a significant reaction product.

Additional Information

© 2004 American Chemical Society. Received March 5, 2004. Publication Date (Web): April 30, 2004. This work was supported by the NSF (CHE-01232216), the Sloan Foundation, and the Dreyfus foundation. T.A.B. is grateful for a graduate research fellowship from the Department of Defense. Professor Seth N. Brown provided several stimulating discussions on the topic of d_z2.

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August 19, 2023
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