Spectroscopic Studies of the Met182Thr Mutant of Nitrite Reductase:  Role of the Axial Ligand in the Geometric and Electronic Structure of Blue and Green Copper Sites

2003 ◽  
Vol 125 (48) ◽  
pp. 14784-14792 ◽  
Author(s):  
Lipika Basumallick ◽  
Robert K. Szilagyi ◽  
Yiwei Zhao ◽  
James P. Shapleigh ◽  
Charles P. Scholes ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Nitrite Reductase ◽  
Spectroscopic Studies ◽  
Axial Ligand ◽  
Copper Sites

Electronic structure of the two copper sites in nitrite reductase by 9 and 95 GHz EPR on cavity mutants

2006 ◽  
Vol 30 (3-4) ◽  
pp. 417-426 ◽  
Author(s):  
M. Fittipaldi ◽  
H. J. Wijma ◽  
M. P. Verbeet ◽  
G. W. Canters ◽  
M. Huber
Keyword(s):  
Electronic Structure ◽  
Nitrite Reductase ◽  
Copper Sites

Spectroscopic studies of stellacyanin, plastocyanin, and azurin. Electronic structure of the blue copper sites

1980 ◽  
Vol 102 (1) ◽  
pp. 168-178 ◽  
Author(s):  
Edward I. Solomon ◽  
Jeffrey W. Hare ◽  
David M. Dooley ◽  
John H. Dawson ◽  
Philip J. Stephens ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Spectroscopic Studies ◽  
Blue Copper ◽  
Copper Sites

Spectroscopic studies of ascorbate oxidase. Electronic structure of blue copper sites

Biochemistry ◽  
1981 ◽  
Vol 20 (7) ◽  
pp. 2024-2028 ◽  
Author(s):  
David M. Dooley ◽  
John H. Dawson ◽  
Philip J. Stephens ◽  
Harry B. Gray
Keyword(s):  
Electronic Structure ◽  
Spectroscopic Studies ◽  
Ascorbate Oxidase ◽  
Blue Copper ◽  
Copper Sites

Electronic structure of perturbed blue copper sites: Sulfur K-edge and MCD of stellacyanin and nitrite reductase

1995 ◽  
Vol 59 (2-3) ◽  
pp. 700
Author(s):  
Louis B. LaCroix ◽  
Susan E. Shadle ◽  
Yaning Wang ◽  
Bruce A. Averill ◽  
Britt Hedman ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Nitrite Reductase ◽  
Blue Copper ◽  
Copper Sites

Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition

CrystEngComm ◽  
2021 ◽  
Vol 23 (15) ◽  
pp. 2854-2861
Author(s):  
Kristian Handoyo Sugiyarto ◽  
Djulia Onggo ◽  
Hiroki Akutsu ◽  
Varimalla Raghavendra Reddy ◽  
Hari Sutrisno ◽  
...  
Keyword(s):  
High Spin ◽  
Crystal Packing ◽  
Spin Transition ◽  
Spectroscopic Studies ◽  
Mononuclear Complex

Mononuclear complex [Fe(3-bpp)2](CF3COO)2 exhibits a thermal (HS + HS) ⇋ (HS + LS) transition at ∼226 K which is not associated with any crystallographic transition.

scholarly journals Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima

2021 ◽  
Vol 23 (12) ◽  
pp. 7418-7425
Author(s):  
Magdalena Laurien ◽  
Himanshu Saini ◽  
Oleg Rubel
Keyword(s):  
Electronic Structure ◽  
Conduction Band ◽  
Electron Affinity ◽  
Band Alignment ◽  
Orbital Interactions

We calculate the band alignment of the newly predicted phosphorene-like puckered monolayers with G0W0 according to the electron affinity rule and examine trends in the electronic structure. Our results give guidance for heterojunction design.

scholarly journals Experimental and Theoretical Studies of Sonically Prepared Cu–Y, Cu–USY and Cu–ZSM-5 Catalysts for SCR deNOx

Catalysts ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 824
Author(s):  
Przemysław J. Jodłowski ◽  
Izabela Czekaj ◽  
Patrycja Stachurska ◽  
Łukasz Kuterasiński ◽  
Lucjan Chmielarz ◽  
...  
Keyword(s):  
Ion Exchange ◽  
Ultrasonic Irradiation ◽  
Active Phase ◽  
Spectroscopic Studies ◽  
In Situ Drifts ◽  
Ft Ir ◽  
Diffuse Reflectance Infrared ◽  
Experimental And Theoretical Studies

The objective of our study was to prepare Y-, USY- and ZSM-5-based catalysts by hydrothermal synthesis, followed by copper active-phase deposition by either conventional ion-exchange or ultrasonic irradiation. The resulting materials were characterized by XRD, BET, SEM, TEM, Raman, UV-Vis, monitoring ammonia and nitrogen oxide sorption by FT-IR and Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS). XRD data confirmed the purity and structure of the Y/USY or ZSM-5 zeolites. The nitrogen and ammonia sorption results indicated that the materials were highly porous and acidic. The metallic active phase was found in the form of cations in ion-exchanged zeolites and in the form of nanoparticle metal oxides in sonochemically prepared catalysts. The latter showed full activity and high stability in the SCR deNOx reaction. The faujasite-based catalysts were fully active at 200–400 °C, whereas the ZSM-5-based catalysts reached 100% activity at 400–500 °C. Our in situ DRIFTS experiments revealed that Cu–O(NO) and Cu–NH3 were intermediates, also indicating the role of Brønsted sites in the formation of NH4NO3. Furthermore, the results from our experimental in situ spectroscopic studies were compared with DFT models. Overall, our findings suggest two possible mechanisms for the deNOx reaction, depending on the method of catalyst preparation (i.e., conventional ion-exchange vs. ultrasonic irradiation).

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