Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles

2021 ◽  
Vol 45 (9) ◽  
pp. 4427-4436
Author(s):  
Rajarshi Mondal ◽  
Jason D. Braun ◽  
Issiah B. Lozada ◽  
Rachel Nickel ◽  
Johan van Lierop ◽  
...  
Keyword(s):  
Coordination Complexes ◽  
Group Viii ◽  
Frontier Orbital ◽  
Heterocyclic Ligands ◽  
Energy Excitation ◽  
Orbital Energies

Group 8 complexes of π-extended N-heterocyclic ligands present some unexpected results. Benzannulation shifts the lowest energy excitation to the blue by impacting the character of the transition rather than affecting frontier orbital energies.

On the influence of spiroconjugation and electron-withdrawing effects on the Frontier orbital energies of 5-substituted cyclopentadienes

1994 ◽  
Vol 35 (33) ◽  
pp. 5973-5976 ◽  
Author(s):  
J.Venkat Raman ◽  
Kent E. Nielsen ◽  
Leslie H. Randall ◽  
Luke A. Burke ◽  
Gary I. Dmitrienko
Keyword(s):  
Frontier Orbital ◽  
Orbital Energies

scholarly journals Probing Frontier Orbital Energies of {Co9(P2W15)3} Polyoxometalate Clusters at Molecule–Metal and Molecule–Water Interfaces

2017 ◽  
Vol 139 (41) ◽  
pp. 14501-14510 ◽  
Author(s):  
Xiaofeng Yi ◽  
Natalya V. Izarova ◽  
Maria Stuckart ◽  
David Guérin ◽  
Louis Thomas ◽  
...  
Keyword(s):  
Frontier Orbital ◽  
Orbital Energies

scholarly journals Relating Frontier Orbital Energies from Voltammetry and Photoelectron Spectroscopy to the Open-Circuit Voltage of Organic Solar Cells

2019 ◽  
Vol 9 (10) ◽  
pp. 1803677 ◽  
Author(s):  
Robin E. M. Willems ◽  
Christ H. L. Weijtens ◽  
Xander de Vries ◽  
Reinder Coehoorn ◽  
René A. J. Janssen
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Photoelectron Spectroscopy ◽  
Open Circuit Voltage ◽  
Open Circuit ◽  
Frontier Orbital ◽  
Orbital Energies

Synthesis and electronic investigation of mono- and di-substituted 4-nitro- and 4-amino-pyrazol-1-yl bis(pyrazol-1-yl)pyridine-type ligands and luminescent Eu(iii) derivatives

2017 ◽  
Vol 46 (24) ◽  
pp. 7733-7742 ◽  
Author(s):  
D. J. Strohecker ◽  
V. M. Lynch ◽  
B. J. Holliday ◽  
R. A. Jones
Keyword(s):  
Frontier Orbital ◽  
Spectroscopic Investigations ◽  
Orbital Energies

The synthesis of nitro- and amino-bis(pyrazol-1-yl)pyridines was achieved, allowing for tuning of frontier orbital energies and Eu(iii) complex spectroscopic investigations.

scholarly journals Benchtop access to anhydrous actinide N-donor coordination complexes using ionic liquids

2020 ◽  
Vol 56 (30) ◽  
pp. 4232-4235
Author(s):  
Steven P. Kelley ◽  
Volodymyr Smetana ◽  
Stephen D. Emerson ◽  
Anja-Verena Mudring ◽  
Robin D. Rogers
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Coordination Complexes ◽  
Heterocyclic Ligands ◽  
Donor Coordination ◽  
Donor Preference

Actinide salts were dehydrated with an ionic liquid containing the same anion and subsequently coordinated by N-heterocyclic ligands challenging the concept of O- over N-donor preference.

The role of electron-attracting substituents and molecular stacking motifs in the charge transport of tetraazapyrene derivatives

2019 ◽  
Vol 43 (15) ◽  
pp. 5706-5718 ◽  
Author(s):  
Ya-Rui Shi ◽  
Hui-Ling Wei ◽  
Yu-Fang Liu
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Photophysical Properties ◽  
Frontier Orbital ◽  
Orbital Energies ◽  
Molecular Stacking

The frontier orbital energies, charge transport properties and photophysical properties of TAPy derivatives were theoretically investigated by means of DFT.

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