Spectroscopic studies on plastocyanin single crystals: a detailed electronic structure determination of the blue copper active site

1981 ◽  
Vol 103 (15) ◽  
pp. 4382-4388 ◽  
Author(s):  
K. W. Penfield ◽  
R. R. Gay ◽  
R. S. Himmelwright ◽  
N. C. Eickman ◽  
V. A. Norris ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Active Site ◽  
Spectroscopic Studies ◽  
Blue Copper

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

scholarly journals Synthesis and electronic structure determination of uranium(vi) ligand radical complexes

2016 ◽  
Vol 45 (31) ◽  
pp. 12576-12586 ◽  
Author(s):  
Khrystyna Herasymchuk ◽  
Linus Chiang ◽  
Cassandra E. Hayes ◽  
Matthew L. Brown ◽  
Jeffrey S. Ovens ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Structure Determination ◽  
Salen Ligands ◽  
The One

Pentagonal bipyramidal uranyl (UO22+) complexes of salen ligands were prepared and the electronic structure of the one-electron oxidized species[1a–c]+were investigated in solution.

scholarly journals The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of ‘hidden’ complex twinning in large single crystals

2020 ◽  
Vol 84 (5) ◽  
pp. 699-704
Author(s):  
Luca Bindi ◽  
Andrew C. Roberts ◽  
Cristian Biagioni
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Unit Cell ◽  
Crystal Structure Determination ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Structure Determinations

AbstractAlstonite, BaCa(CO3)2, is a mineral described almost two centuries ago. It is widespread in Nature and forms magnificent cm-sized crystals. Notwithstanding, its crystal structure was still unknown. Here, we report the crystal-structure determination of the mineral and discuss it in relationship to other polymorphs of BaCa(CO3)2. Alstonite is trigonal, space group P31m, with unit-cell parameters a = 17.4360(6), c = 6.1295(2) Å, V = 1613.80(9) Å3 and Z = 12. The crystal structure was solved and refined to R1 = 0.0727 on the basis of 4515 reflections with Fo > 4σ(Fo) and 195 refined parameters. Alstonite is formed by the alternation, along c, of Ba-dominant and Ca-dominant layers, separated by CO3 groups parallel to {0001}. The main take-home message is to show that not all structure determinations of minerals/compounds can be solved routinely. Some crystals, even large ones displaying excellent diffraction quality, can be twinned in complex ways, thus making their study a crystallographic challenge.

Total Structure Determination of Au21(S-Adm)15 and Geometrical/Electronic Structure Evolution of Thiolated Gold Nanoclusters

2016 ◽  
Vol 138 (34) ◽  
pp. 10754-10757 ◽  
Author(s):  
Shuang Chen ◽  
Lin Xiong ◽  
Shuxin Wang ◽  
Zhongyun Ma ◽  
Shan Jin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Structure Determination ◽  
Gold Nanoclusters ◽  
Structure Evolution ◽  
Total Structure

Experimental and theoretical electronic structure determination of theβ−SiC(001)c(4×2)surface reconstruction

2004 ◽  
Vol 69 (24) ◽  
Author(s):  
V. Yu. Aristov ◽  
P. Soukiassian ◽  
A. Catellani ◽  
R. Di Felice ◽  
G. Galli
Keyword(s):  
Electronic Structure ◽  
Surface Reconstruction ◽  
Structure Determination

Spectroscopic studies of the coupled binuclear ferric active site in methemerythrins and oxyhemerythrin: the electronic structure of each iron center and the iron-oxo and iron-peroxide bonds

1989 ◽  
Vol 111 (13) ◽  
pp. 4688-4704 ◽  
Author(s):  
Richard C. Reem ◽  
James M. McCormick ◽  
David E. Richardson ◽  
Frank J. Devlin ◽  
Philip J. Stephens ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Active Site ◽  
Spectroscopic Studies ◽  
Iron Center
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