Solid-State Structure and Calculated Electronic Structure, Formation Energy, Chemical Bonding, and Optical Properties of Zn4O(FMA)3 and Its Heavier Congener Cd4O(FMA)3

2013 ◽  
Vol 52 (8) ◽  
pp. 4217-4228 ◽  
Author(s):  
Li-Ming Yang ◽  
Ponniah Ravindran ◽  
Mats Tilset
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Solid State ◽  
Structure Formation ◽  
Chemical Bonding ◽  
Formation Energy ◽  
State Structure ◽  
Solid State Structure

Effect of solid-state structure on optical properties of conjugated organic materials

1999 ◽  
Vol 102 (1-3) ◽  
pp. 1443-1446 ◽  
Author(s):  
Paul F. van Hutten ◽  
Hendrik-Jan Brouwer ◽  
Victor V. Krasnikov ◽  
Lahoussine Ouali ◽  
Ulf Stalmach ◽  
...  
Keyword(s):  
Optical Properties ◽  
Solid State ◽  
Organic Materials ◽  
State Structure ◽  
Solid State Structure ◽  
Conjugated Organic Materials

Spiro-Bridged Ladder-Type Oligo(para -phenylene)s: Fine Tuning Solid State Structure and Optical Properties

2017 ◽  
Vol 27 (45) ◽  
pp. 1704077 ◽  
Author(s):  
Björn Kobin ◽  
Jutta Schwarz ◽  
Beatrice Braun-Cula ◽  
Moritz Eyer ◽  
Anton Zykov ◽  
...  
Keyword(s):  
Optical Properties ◽  
Solid State ◽  
Fine Tuning ◽  
State Structure ◽  
Solid State Structure

A quantum mechanically guided view of Cd-MOF-5 from formation energy, chemical bonding, electronic structure, and optical properties

2013 ◽  
Vol 175 ◽  
pp. 50-58 ◽  
Author(s):  
Li-Ming Yang ◽  
Ponniah Ravindran ◽  
Ponniah Vajeeston ◽  
Stian Svelle ◽  
Mats Tilset
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Chemical Bonding ◽  
Formation Energy

The structure of [Cu(bipy)3][Cu(bipy)(ala)(ClO4)2]ClO4 � a Compound with Two Different Coordination Modes in the same Complex

2008 ◽  
Vol 59 (11) ◽  
Author(s):  
Mircea Braban ◽  
Ionel Haiduc
Keyword(s):  
Solid State ◽  
Chelate Ring ◽  
Octahedral Complex ◽  
State Structure ◽  
Complex Species ◽  
Solid State Structure ◽  
Coordination Modes ◽  
Coordination Center ◽  
Self Assembled ◽  
Chelate Rings

The paper describes the solid state structure of a compound of composition [Cu(bipy)3][Cu(bipy)(ala) (ClO4)2]ClO4, in which both the cation and anion are octahedral complex species with copper(II) as coordination center. The cation contains three chelate rings formed by bipy; the anion contains in the quatorial plane a CuONC2 chelate ring formed by the alaninato ligand and a CuN2C2 chelate ring formed by bipy, with two monodentate perchorato ligands in axial positions completing the six-coordination. In the crystal p-p stackings lead to a supramolecular self-assembled structure.

Synthesis and Solid-State Structure of (4-Hydroxy-3,5-diiodophenyl)phosphine Oxides. Dimeric Motifs with the Assistance of O-H···O=P Hydrogen Bonds

2015 ◽  
Vol 19 (5) ◽  
pp. 469-474 ◽  
Author(s):  
Nicholas Bewick ◽  
Agata Arendt ◽  
Yan Li ◽  
S.awomir Szafert ◽  
Tadeusz Lis ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Phosphine Oxides ◽  
State Structure ◽  
Solid State Structure

Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain

CrystEngComm ◽  
2021 ◽  
Author(s):  
Mainak Karmakar ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Schiff Base ◽  
Solid State ◽  
Dft Calculations ◽  
Zinc Complexes ◽  
Infinite Chain ◽  
State Structure ◽  
Computational Tools ◽  
Solid State Structure ◽  
Reduced Schiff Base ◽  
Insight Into

The formation of an infinite 1D assembly is governed by the H-bonding interactions in the solid state structure of the two zinc complexes. It has been analyzed energetically using DFT calculations and several computational tools.

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