Back to articles
Articles
Volume: 15 | Article ID: art00070_2
Image
Analysis of Molecular Properties of Hole Transport Molecules Using Molecular Orbital Theory
  DOI :  10.2352/ISSN.2169-4451.1999.15.1.art00070_2  Published OnlineJanuary 1999
Abstract

Polarizabilities and dipole moments of the existing hole transport molecules with different mobility were measured. The zero-field mobility determined by TOF technique correlated with dipole moments and polarizabilities. These results suggested that smaller dipole moment and larger polarizability of hole transport molecules are preferable properties for hole transport. Polarizabilities and dipole moments of the existing hole transport molecules were also calculated using semiempirical molecular orbital theory based on modified neglect of diatomic overlap (MNDO). The calculated polarizabilities and dipole moments strongly correlated with observed values. The fact implies that the calculated polarizability and the calculated dipole moment are good indices to develop new high mobility hole transport molecules. Semiempirical molecular orbital calculations were also applied to design new high mobility hole transport molecules.

Subject Areas :
Views 3
Downloads 0
 articleview.views 3
 articleview.downloads 0
  Cite this article 

Takayuki Shoda, Akiteru Fujii, Tetsuo Murayama, Shinji Aramaki, "Analysis of Molecular Properties of Hole Transport Molecules Using Molecular Orbital Theoryin Proc. IS&T Int'l Conf. on Digital Printing Technologies (NIP15),  1999,  pp 651 - 654,  https://doi.org/10.2352/ISSN.2169-4451.1999.15.1.art00070_2

 Copy citation
  Copyright statement 
Copyright © Society for Imaging Science and Technology 1999
72010410
NIP & Digital Fabrication Conference
nip digi fabric conf
2169-4451
Society of Imaging Science and Technology
7003 Kilworth Lane, Springfield, VA 22151, USA