DeBeer S - Search Results

1

Experimental and computational X-ray emission spectroscopy as a direct probe of protonation states in oxo-bridged Mn(IV) dimers relevant to redox-active metalloproteins.

Lassalle-Kaiser B, Boron TT 3rd, Krewald V, Kern J, Beckwith MA, Delgado-Jaime MU, Schroeder H, Alonso-Mori R, Nordlund D, Weng TC, Sokaras D, Neese F, Bergmann U, Yachandra VK, DeBeer S, Pecoraro VL, Yano J. Lassalle-Kaiser B, et al. Among authors: debeer s. Inorg Chem. 2013 Nov 18;52(22):12915-22. doi: 10.1021/ic400821g. Epub 2013 Oct 25. Inorg Chem. 2013. PMID: 24161081 Free PMC article.

2

Probing valence orbital composition with iron Kbeta X-ray emission spectroscopy.

Lee N, Petrenko T, Bergmann U, Neese F, DeBeer S. Lee N, et al. Among authors: debeer s. J Am Chem Soc. 2010 Jul 21;132(28):9715-27. doi: 10.1021/ja101281e. J Am Chem Soc. 2010. PMID: 20578760

3

A fully delocalized mixed-valence bis-μ(thiolato) dicopper complex: a structural and functional model of the biological CuA center.

Gennari M, Pécaut J, DeBeer S, Neese F, Collomb MN, Duboc C. Gennari M, et al. Among authors: debeer s. Angew Chem Int Ed Engl. 2011 Jun 14;50(25):5662-6. doi: 10.1002/anie.201100605. Epub 2011 May 9. Angew Chem Int Ed Engl. 2011. PMID: 21557415 No abstract available.

4

Kβ X-ray emission spectroscopy offers unique chemical bonding insights: revisiting the electronic structure of ferrocene.

Lancaster KM, Finkelstein KD, DeBeer S. Lancaster KM, et al. Among authors: debeer s. Inorg Chem. 2011 Jul 18;50(14):6767-74. doi: 10.1021/ic200822b. Epub 2011 Jun 21. Inorg Chem. 2011. PMID: 21692497

5

Manganese Kβ X-ray emission spectroscopy as a probe of metal-ligand interactions.

Beckwith MA, Roemelt M, Collomb MN, DuBoc C, Weng TC, Bergmann U, Glatzel P, Neese F, DeBeer S. Beckwith MA, et al. Among authors: debeer s. Inorg Chem. 2011 Sep 5;50(17):8397-409. doi: 10.1021/ic200970t. Epub 2011 Aug 1. Inorg Chem. 2011. PMID: 21805960

6

Experimental and computational investigation of thiolate alkylation in Ni(II) and Zn(II) complexes: role of the metal on the sulfur nucleophilicity.

Gennari M, Retegan M, DeBeer S, Pécaut J, Neese F, Collomb MN, Duboc C. Gennari M, et al. Among authors: debeer s. Inorg Chem. 2011 Oct 17;50(20):10047-55. doi: 10.1021/ic200899w. Epub 2011 Sep 20. Inorg Chem. 2011. PMID: 21932763

7

Identification of a single light atom within a multinuclear metal cluster using valence-to-core X-ray emission spectroscopy.

Delgado-Jaime MU, Dible BR, Chiang KP, Brennessel WW, Bergmann U, Holland PL, DeBeer S. Delgado-Jaime MU, et al. Among authors: debeer s. Inorg Chem. 2011 Nov 7;50(21):10709-17. doi: 10.1021/ic201173j. Epub 2011 Sep 28. Inorg Chem. 2011. PMID: 21954894 Free PMC article.

8

Prediction of high-valent iron K-edge absorption spectra by time-dependent density functional theory.

Chandrasekaran P, Stieber SC, Collins TJ, Que L Jr, Neese F, DeBeer S. Chandrasekaran P, et al. Among authors: debeer s. Dalton Trans. 2011 Nov 14;40(42):11070-9. doi: 10.1039/c1dt11331c. Epub 2011 Sep 29. Dalton Trans. 2011. PMID: 21956429 Free PMC article.

9

Synthesis and characterization of (smif)2M(n) (n = 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n = +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl).

Frazier BA, Bartholomew ER, Wolczanski PT, DeBeer S, Santiago-Berrios M, Abruña HD, Lobkovsky EB, Bart SC, Mossin S, Meyer K, Cundari TR. Frazier BA, et al. Among authors: debeer s. Inorg Chem. 2011 Dec 19;50(24):12414-36. doi: 10.1021/ic200376f. Epub 2011 Nov 17. Inorg Chem. 2011. PMID: 22091985

10

X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor.

Lancaster KM, Roemelt M, Ettenhuber P, Hu Y, Ribbe MW, Neese F, Bergmann U, DeBeer S. Lancaster KM, et al. Among authors: debeer s. Science. 2011 Nov 18;334(6058):974-7. doi: 10.1126/science.1206445. Science. 2011. PMID: 22096198 Free PMC article.

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