Exceptional Electronic Modulation of Porphyrins throughmeso-Arylethynyl Groups. Electronic Spectroscopy, Electronic Structure, and Electrochemistry of [5,15-Bis[(aryl)ethynyl]- 10,20-diphenylporphinato]zinc(II) Complexes. X-ray Crystal Structures of [5,15-Bis[(4‘-fluorophenyl)ethynyl]- 10,20-diphenylporphinato]zinc(II) and 5,15-Bis[(4‘-methoxyphenyl)ethynyl]-10,20-diphenylporphyrin

1996 ◽  
Vol 118 (47) ◽  
pp. 11854-11864 ◽  
Author(s):  
Steven M. LeCours ◽  
Stephen G. DiMagno ◽  
Michael J. Therien
Keyword(s):  
Electronic Structure ◽  
Crystal Structures ◽  
Electronic Spectroscopy ◽  
X Ray

ErNi2.23Al2.77 and YbNi2.31Al2.69 – i3 superstructures of the CaCu5 type

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Nazar Zaremba ◽  
Ihor Muts ◽  
Volodymyr Pavlyuk ◽  
Viktor Hlukhyy ◽  
Rainer Pöttgen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Electronic Structure Calculations ◽  
Crystal Chemical ◽  
Muffle Furnace ◽  
Space Group ◽  
X Ray ◽  
Structure Calculations

Abstract The title compounds have been synthesized by reaction of the elements in sealed tantalum crucibles in a muffle furnace using special annealing sequences. The crystal structures of YbNi2.31Al2.69 (R1 = 0.0100 for 212 F 2 values and 18 variables) and for ErNi2.23Al2.77 (R1 = 0.0154 for 255 F 2 values and 18 variables) were refined from single crystal X-ray data. They belong to the YNi2Al3 type (i3 superstructure of CaCu5) with the following crystallographic parameters: space group P 6 / m m m $P6/mmm$ , Pearson’s symbol hP18, Z = 3, a = 8.2723(12), c = 4.0672(8) Å, V = 241.03(8) Å3 for YbNi2.31Al2.69 and a = 8.9109(13), c = 4.0669(8) Å, V = 279.66(8) Å3 for ErNi2.23Al2.77. The crystal chemical discussion is supported by electronic structure calculations.

Iron Tricarbonyl α-Diimine Complexes: Synthesis, Characterization, and Electronic Structure Based on X-ray Crystal Structures

Polyhedron ◽  
2021 ◽  
pp. 115168
Author(s):  
Julia A. Brown ◽  
Alexandra L. Chaparro ◽  
Leah C. McCarthy ◽  
Sophia C. Moniodes ◽  
Erin E. Ostrowski ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Crystal Structures ◽  
X Ray ◽  
Iron Tricarbonyl ◽  
Diimine Complexes

scholarly journals Synthesis, X-Ray Crystal Structures and Catalytic Epoxidation of Oxidovanadium(V) Complexes with Aroylhydrazone and Ethyl Maltolate Ligands

2021 ◽  
Vol 68 (2) ◽  
pp. 441-446
Author(s):  
Dong-Hui Zou ◽  
Min Liang ◽  
Wei Chen
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Elemental Analysis ◽  
Electronic Spectroscopy ◽  
Octahedral Coordination ◽  
X Ray ◽  
Catalytic Epoxidation

Two oxidovanadium(V) complexes, [VOL1L] (1) and [VOL2L] (2) (L = ethyl maltolate), derived from the aroylhydrazones 4-bromo-N’-(2-hydroxy-5-methylbenzylidene)benzohydrazide (H2L1) and N’-(3,5-dibromo-2-hydroxybenzylidene)- 4-methoxybenzohydrazide (H2L2), respectively, have been synthesized and characterized by elemental analysis, infrared and electronic spectroscopy. Structures of the complexes were further confirmed by single crystal X-ray determination. The V atoms in the complexes are coordinated by the ONO donor atoms of the aroylhydrazone ligand, OO donor atoms of the ethyl maltolate ligand, and one oxido O atom, forming octahedral coordination. The complexes function as effective olefin

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