C-Term magnetic circular dichroism (MCD) spectroscopy in paramagnetic transition metal and f-element organometallic chemistry

Wolford, Nikki J.; Radovic, Aleksa; Neidig, Michael L.

doi:10.1039/d0dt03730c

Title: C-Term magnetic circular dichroism (MCD) spectroscopy in paramagnetic transition metal and f-element organometallic chemistry

Abstract

Magnetic circular dichroism (MCD) spectroscopy is a powerful experiment used to probe the electronic structure and bonding in paramagnetic metal-based complexes. While C-term MCD spectroscopy has been utilized in many areas of chemistry, it has been underutilized in studying paramagnetic organometallic transition metal and f-element complexes. From the analysis of isolated organometallic complexes to the study of in situ generated species, MCD can provide information regarding ligand interactions, oxidation and spin state, and geometry and coordination environment of paramagnetic species. The pratical aspects of this technique, such as air-free sample preparation and cryogenic experimental temperatures, allow for the study of highly unstable species, something that is often difficult with other spectroscopic techniques. This perspective highlights MCD studies of both transition metal and f-element organometallic complexes, including in situ generated reactive intermediates, to demonstrate the utility of this technique in probing electronic structure, bonding and mechanism in paramagnetic organometallic chemistry.

Authors:

^[1]; Radovic, Aleksa ^[1];

^[1]

Univ. of Rochester, NY (United States)

Publication Date:: Mon Dec 14 00:00:00 EST 2020

Research Org.:: Univ. of Rochester, NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1852063

Alternate Identifier(s):: OSTI ID: 1735685

Grant/Contract Number:: SC0016002

Resource Type:: Accepted Manuscript

Journal Name:: Dalton Transactions

Additional Journal Information:: Journal Volume: 50; Journal Issue: 2; Journal ID: ISSN 1477-9226

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Wolford, Nikki J., Radovic, Aleksa, and Neidig, Michael L. C-Term magnetic circular dichroism (MCD) spectroscopy in paramagnetic transition metal and f-element organometallic chemistry.  United States: N. p., 2020. 
Web.  doi:10.1039/d0dt03730c.

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                    Wolford, Nikki J., Radovic, Aleksa, & Neidig, Michael L. C-Term magnetic circular dichroism (MCD) spectroscopy in paramagnetic transition metal and f-element organometallic chemistry.  United States.  https://doi.org/10.1039/d0dt03730c

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                    Wolford, Nikki J., Radovic, Aleksa, and Neidig, Michael L. Mon .  
"C-Term magnetic circular dichroism (MCD) spectroscopy in paramagnetic transition metal and f-element organometallic chemistry".  United States.  https://doi.org/10.1039/d0dt03730c.  https://www.osti.gov/servlets/purl/1852063.

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@article{osti_1852063,

  title        = {C-Term magnetic circular dichroism (MCD) spectroscopy in paramagnetic transition metal and f-element organometallic chemistry},

  author       = {Wolford, Nikki J. and Radovic, Aleksa and Neidig, Michael L.},

  abstractNote = {Magnetic circular dichroism (MCD) spectroscopy is a powerful experiment used to probe the electronic structure and bonding in paramagnetic metal-based complexes. While C-term MCD spectroscopy has been utilized in many areas of chemistry, it has been underutilized in studying paramagnetic organometallic transition metal and f-element complexes. From the analysis of isolated organometallic complexes to the study of in situ generated species, MCD can provide information regarding ligand interactions, oxidation and spin state, and geometry and coordination environment of paramagnetic species. The pratical aspects of this technique, such as air-free sample preparation and cryogenic experimental temperatures, allow for the study of highly unstable species, something that is often difficult with other spectroscopic techniques. This perspective highlights MCD studies of both transition metal and f-element organometallic complexes, including in situ generated reactive intermediates, to demonstrate the utility of this technique in probing electronic structure, bonding and mechanism in paramagnetic organometallic chemistry.},

  doi          = {10.1039/d0dt03730c},

  journal      = {Dalton Transactions},

  number       = 2,

  volume       = 50,

  place        = {United States},

  year         = {Mon Dec 14 00:00:00 EST 2020},

  month        = {Mon Dec 14 00:00:00 EST 2020}

}

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Works referenced in this record:

CD and MCD Studies of the Non-Heme Ferrous Active Site in (4-Hydroxyphenyl)pyruvate Dioxygenase: Correlation between Oxygen Activation in the Extradiol and α-KG-Dependent Dioxygenases
journal, April 2004

Neidig, Michael L.; Kavana, Michael; Moran, Graham R.
Journal of the American Chemical Society, Vol. 126, Issue 14
DOI: 10.1021/ja0316521

Cobalt-Catalyzed Cross-Coupling Reactions
journal, March 2010

Cahiez, Gérard; Moyeux, Alban
Chemical Reviews, Vol. 110, Issue 3
DOI: 10.1021/cr9000786

The electronic structure of actinyl ions: V.
journal, June 1982

Denning, R. G.; Norris, J. O. W.; Brown, D.
Molecular Physics, Vol. 46, Issue 2
DOI: 10.1080/00268978200101261

Spectroscopic Determination of the Electronic Structure of a Uranium Single-Ion Magnet
journal, January 2019

Coutinho, Joana T.; Perfetti, Mauro; Baldoví, José J.
Chemistry - A European Journal, Vol. 25, Issue 7
DOI: 10.1002/chem.201805090

NHC and nucleophile chelation effects on reactive iron( ii ) species in alkyl–alkyl cross-coupling
journal, January 2018

Fleischauer, Valerie E.; Muñoz III, Salvador B.; Neate, Peter G. N.
Chemical Science, Vol. 9, Issue 7
DOI: 10.1039/C7SC04750A

Spectroscopic Characterization of YedY: The Role of Sulfur Coordination in a Mo(V) Sulfite Oxidase Family Enzyme Form
journal, November 2009

Yang, Jing; Rothery, Richard; Sempombe, Joseph
Journal of the American Chemical Society, Vol. 131, Issue 43
DOI: 10.1021/ja903087k

Elucidating the Electronic Structure of High-Spin [Mn ^III (TPP)Cl] Using Magnetic Circular Dichroism Spectroscopy
journal, February 2020

Galinato, Mary Grace I.; Brocious, Emily P.; Paulat, Florian
Inorganic Chemistry, Vol. 59, Issue 4
DOI: 10.1021/acs.inorgchem.9b02599

The Effect of β‐Hydrogen Atoms on Iron Speciation in Cross‐Couplings with Simple Iron Salts and Alkyl Grignard Reagents
journal, February 2019

Sears, Jeffrey D.; Muñoz, Salvador B.; Daifuku, Stephanie L.
Angewandte Chemie International Edition, Vol. 58, Issue 9
DOI: 10.1002/anie.201813578

Correlation between the C–C Cross-Coupling Activity and C-to-Ni Charge Transfer Transition of High-Valent Ni Complexes
journal, February 2020

Shin, Jeongcheol; Gwon, Suyeon; Kim, Samhwan
Journal of the American Chemical Society, Vol. 142, Issue 9
DOI: 10.1021/jacs.9b10405

Resonance Raman, Electron Paramagnetic Resonance, and Magnetic Circular Dichroism Spectroscopic Investigation of Diheme Cytochrome c Peroxidases from Nitrosomonas europaea and Shewanella oneidensis
journal, October 2018

Wolf, Matthew W.; Rizzolo, Kimberly; Elliott, Sean J.
Biochemistry, Vol. 57, Issue 45
DOI: 10.1021/acs.biochem.8b00732

A Combined Mössbauer, Magnetic Circular Dichroism, and Density Functional Theory Approach for Iron Cross-Coupling Catalysis: Electronic Structure, In Situ Formation, and Reactivity of Iron-Mesityl-Bisphosphines
journal, June 2014

Daifuku, Stephanie L.; Al-Afyouni, Malik H.; Snyder, Benjamin E. R.
Journal of the American Chemical Society, Vol. 136, Issue 25
DOI: 10.1021/ja503596m

Magnetic circular dichroism spectra of some tetrahedral cobalt(II)complexes
journal, March 1974

Kato, Hajime; Akimoto, Katsuhiro
Journal of the American Chemical Society, Vol. 96, Issue 5
DOI: 10.1021/ja00812a016

Insight into the Electronic Structure of Formal Lanthanide(II) Complexes using Magnetic Circular Dichroism Spectroscopy
journal, July 2019

Fleischauer, Valerie E.; Ganguly, Gaurab; Woen, David H.
Organometallics, Vol. 38, Issue 16
DOI: 10.1021/acs.organomet.9b00315

Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
journal, January 2000

Solomon, Edward I.; Brunold, Thomas C.; Davis, Mindy I.
Chemical Reviews, Vol. 100, Issue 1
DOI: 10.1021/cr9900275

The N ‐Methylpyrrolidone (NMP) Effect in Iron‐Catalyzed Cross‐Coupling with Simple Ferric Salts and MeMgBr
journal, May 2018

Muñoz, Salvador B.; Daifuku, Stephanie L.; Sears, Jeffrey D.
Angewandte Chemie International Edition, Vol. 57, Issue 22
DOI: 10.1002/anie.201802087

Magnetic Circular Dichroism and Density Functional Theory Studies of Iron(II)-Pincer Complexes: Insight into Electronic Structure and Bonding Effects of Pincer N-Heterocyclic Carbene Moieties
journal, October 2016

Baker, Tessa M.; Mako, Teresa L.; Vasilopoulos, Aristidis
Organometallics, Vol. 35, Issue 21
DOI: 10.1021/acs.organomet.6b00651

Ligand effects on electronic structure and bonding in U( iii ) coordination complexes: a combined MCD, EPR and computational study
journal, January 2020

Wolford, Nikki J.; Yu, Xiaojuan; Bart, Suzanne C.
Dalton Transactions, Vol. 49, Issue 41
DOI: 10.1039/D0DT02929G

Mechanisms of Nickel-Catalyzed Cross-Coupling Reactions
journal, December 2019

Diccianni, Justin B.; Diao, Tianning
Trends in Chemistry, Vol. 1, Issue 9
DOI: 10.1016/j.trechm.2019.08.004

Electronic Spectral Studies of Molybdenyl Complexes. 2. MCD Spectroscopy of [MoO S ₄ ] ^- Centers
journal, February 2001

McMaster, Jonathan; Carducci, Michael D.; Yang, Yi-Shan
Inorganic Chemistry, Vol. 40, Issue 4
DOI: 10.1021/ic0005846

Geometric and Electronic Structure Contributions to Function in Bioinorganic Chemistry: Active Sites in Non-Heme Iron Enzymes
journal, July 2001

Solomon, Edward I.
Inorganic Chemistry, Vol. 40, Issue 15
DOI: 10.1021/ic010348a

Vanadocene de Novo : Spectroscopic and Computational Analysis of Bis(η ⁵ -cyclopentadienyl)vanadium(II)
journal, November 2012

Jackson, Timothy A.; Krzystek, J.; Ozarowski, Andrew
Organometallics, Vol. 31, Issue 23
DOI: 10.1021/om300892y

Cobalt-Catalyzed C–H Activation
journal, December 2015

Moselage, Marc; Li, Jie; Ackermann, Lutz
ACS Catalysis, Vol. 6, Issue 2
DOI: 10.1021/acscatal.5b02344

Applications of magnetic circular dichroism spectroscopy to porphyrins and phthalocyanines
journal, January 2007

Kobayashi, Nagao; Nakai, Katsunori
Chemical Communications, Issue 40
DOI: 10.1039/B704991A

The Faraday effect, magnetic rotatory dispersion and magnetic circular dichroism. A review
journal, January 1964

Dawber, J. G.
The Analyst, Vol. 89, Issue 1065
DOI: 10.1039/an9648900755

Cross-Coupling of Non-activated Chloroalkanes with Aryl Grignard Reagents in the Presence of Iron/ N -Heterocyclic Carbene Catalysts
journal, January 2012

Ghorai, Sujit K.; Jin, Masayoshi; Hatakeyama, Takuji
Organic Letters, Vol. 14, Issue 4
DOI: 10.1021/ol2031729

The electronic structure of actinyl ions: VI. Charge transfer transitions in Cs
journal, June 1982

Denning, R. G.; Norris, J. O. W.; Brown, D.
Molecular Physics, Vol. 46, Issue 2
DOI: 10.1080/00268978200101271

Cyclotron Splittings in the Plasmon Resonances of Electronically Doped Semiconductor Nanocrystals Probed by Magnetic Circular Dichroism Spectroscopy
journal, April 2017

Hartstein, Kimberly H.; Schimpf, Alina M.; Salvador, Michael
The Journal of Physical Chemistry Letters, Vol. 8, Issue 8
DOI: 10.1021/acs.jpclett.7b00494

Spectroscopic and Computational Study of a Non-Heme Iron {Fe−NO} ⁷ System: Exploring the Geometric and Electronic Structures of the Nitrosyl Adduct of Iron Superoxide Dismutase
journal, July 2003

Jackson, Timothy A.; Yikilmaz, Emine; Miller, Anne-Frances
Journal of the American Chemical Society, Vol. 125, Issue 27
DOI: 10.1021/ja029523s

Spectroscopic and Computational Studies of Co ²⁺ Corrinoids: Spectral and Electronic Properties of the Biologically Relevant Base-On and Base-Off Forms of Co ²⁺ Cobalamin
journal, August 2004

Stich, Troy A.; Buan, Nicole R.; Brunold, Thomas C.
Journal of the American Chemical Society, Vol. 126, Issue 31
DOI: 10.1021/ja0481631

Homoleptic Aryl Complexes of Uranium (IV)
journal, July 2019

Wolford, Nikki J.; Sergentu, Dumitru‐Claudiu; Brennessel, William W.
Angewandte Chemie International Edition, Vol. 58, Issue 30
DOI: 10.1002/anie.201905423

Magnetic circular dichroism spectroscopy as a probe of the geometric and electronic structure of non-heme ferrous enzymes
journal, October 1995

Solomon, Edward I.; Pavel, Elizabeth G.; Loeb, Kelly E.
Coordination Chemistry Reviews, Vol. 144
DOI: 10.1016/0010-8545(95)01150-N

Combined Effects of Backbone and N-Substituents on Structure, Bonding, and Reactivity of Alkylated Iron(II)-NHCs
journal, September 2018

Muñoz, Salvador B.; Fleischauer, Valerie E.; Brennessel, William W.
Organometallics, Vol. 37, Issue 18
DOI: 10.1021/acs.organomet.8b00466

Magnetic circular dichroism and density functional theory studies of electronic structure and bonding in cobalt( ii )–N-heterocyclic carbene complexes
journal, January 2017

Iannuzzi, Theresa E.; Gao, Yafei; Baker, Tessa M.
Dalton Transactions, Vol. 46, Issue 39
DOI: 10.1039/C7DT01748K

Iron(II) Active Species in Iron–Bisphosphine Catalyzed Kumada and Suzuki–Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides
journal, August 2015

Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.
Journal of the American Chemical Society, Vol. 137, Issue 35
DOI: 10.1021/jacs.5b06648

Electronic Structure of the Perturbed Blue Copper Site in Nitrite Reductase: Spectroscopic Properties, Bonding, and Implications for the Entatic/Rack State
journal, January 1996

LaCroix, Louis B.; Shadle, Susan E.; Wang, Yaning
Journal of the American Chemical Society, Vol. 118, Issue 33
DOI: 10.1021/ja961217p

A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron( ii )–N-heterocyclic carbene complexes
journal, January 2015

Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H.
Chemical Science, Vol. 6, Issue 2
DOI: 10.1039/C4SC02791D

Absorption and Magnetic Circular Dichroism Analyses of Giant Zeeman Splittings in Diffusion-Doped Colloidal Cd _{1– x} Mn _x Se Quantum Dots
journal, July 2015

Barrows, Charles J.; Vlaskin, Vladimir A.; Gamelin, Daniel R.
The Journal of Physical Chemistry Letters, Vol. 6, Issue 15
DOI: 10.1021/acs.jpclett.5b01137

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Title: C-Term magnetic circular dichroism (MCD) spectroscopy in paramagnetic transition metal and f-element organometallic chemistry

Abstract

Citation Formats

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Magnetic circular dichroism and density functional theory studies of electronic structure and bonding in cobalt( ii )–N-heterocyclic carbene complexes
journal, January 2017

Iron(II) Active Species in Iron–Bisphosphine Catalyzed Kumada and Suzuki–Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides
journal, August 2015

Electronic Structure of the Perturbed Blue Copper Site in Nitrite Reductase: Spectroscopic Properties, Bonding, and Implications for the Entatic/Rack State
journal, January 1996

A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron( ii )–N-heterocyclic carbene complexes
journal, January 2015

Absorption and Magnetic Circular Dichroism Analyses of Giant Zeeman Splittings in Diffusion-Doped Colloidal Cd _{1– x} Mn _x Se Quantum Dots
journal, July 2015