Molecular orbital energy level modulation through incorporation of selenium and fluorine into conjugated polymers for organic photovoltaic cells

2013 ◽  
Vol 1 (43) ◽  
pp. 13422 ◽  
Author(s):  
Wenliu Zhuang ◽  
Hongyu Zhen ◽  
Renee Kroon ◽  
Zheng Tang ◽  
Stefan Hellström ◽  
...  
Keyword(s):  
Energy Level ◽  
Conjugated Polymers ◽  
Molecular Orbital ◽  
Photovoltaic Cells ◽  
Organic Photovoltaic ◽  
Orbital Energy ◽  
Organic Photovoltaic Cells ◽  
Molecular Orbital Energy ◽  
Orbital Energy Level

Molecular Orbital Calculations on Penta Coordinated Ferric Dithiocarbamates Exhibiting Intermediate and Low Spin Ground States

1979 ◽  
Vol 34 (12) ◽  
pp. 1500-1506
Author(s):  
P. Ganguli ◽  
K. M. Hasselbach
Keyword(s):  
Energy Level ◽  
Molecular Orbital ◽  
Ground State ◽  
Ground States ◽  
Orbital Energy ◽  
Iron Nucleus ◽  
Molecular Orbital Calculations ◽  
Valence Shell ◽  
Molecular Orbital Energy ◽  
Orbital Energy Level

Abstract SCCEHMO calculations show that the ground state in [Fe(dtc)2X], X = Cl, Br, I and NCS, is 4A2: (x2 - y2)2(xz)1(yz)1(z2)1(xy)0 and for X = NO is 2A1: (xz)2(yz)2(x2-y2)2(z2)1(xy)0. The calculated quadrupole splittings of iron and iodine included the valence shell, overlap charge, and the ligand and lattice contributions to the EFG tensor at the nuclei. In addition, the elec-tron densities at the iron nucleus are compared with the measured isomer shifts. The spin densi-ties may be interpreted in terms of a π-delocalization. The results are discussed on the basis of the molecular orbital energy level schemes.

Molecular orbital energy level engineering in organic transistors

1996 ◽  
Vol 8 (10) ◽  
pp. 853-855 ◽  
Author(s):  
Ananth Dodabalapur ◽  
Howard E. Katz ◽  
Luisa Torsi
Keyword(s):  
Energy Level ◽  
Molecular Orbital ◽  
Orbital Energy ◽  
Organic Transistors ◽  
Molecular Orbital Energy ◽  
Orbital Energy Level

scholarly journals A Molecular Orbital Energy Level Diagram of LiH

2011 ◽  
Vol 10 (2) ◽  
pp. 75-77 ◽  
Author(s):  
Amih SAGAN ◽  
Umpei NAGASHIMA ◽  
Hiroyuki TERAMAE ◽  
Shin-ichi NAGAOKA
Keyword(s):  
Energy Level ◽  
Molecular Orbital ◽  
Energy Level Diagram ◽  
Orbital Energy ◽  
Molecular Orbital Energy ◽  
Orbital Energy Level

scholarly journals Molecular Orbital Energy Level Diagrams of HeH+

2011 ◽  
Vol 10 (4) ◽  
pp. 147-151
Author(s):  
Amih SAGAN ◽  
Shin-ich NAGAOKA ◽  
Hiroyuki TERAMAE ◽  
Umpei NAGASHIMA
Keyword(s):  
Energy Level ◽  
Molecular Orbital ◽  
Orbital Energy ◽  
Molecular Orbital Energy ◽  
Orbital Energy Level
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