Direct observation of the evolution of both the HOMO and LUMO energy levels of a silole derivative at a magnesium/silole interface

نویسندگان

  • N. J. Watkins
  • A. J. Mäkinen
  • Y. Gao
  • M. Uchida
  • Z. H. Kafafi
چکیده

The electronic structure of the interface formed by Mg deposition onto 2,5-bis(6’-(2’,2’’-bipyridyl))-1,1-dimethyl-3,4diphenyl silacyclopentadiene (PyPySPyPy) was investigated using ultraviolet, inverse, and X-ray photoemission spectroscopies. PyPySPyPy is of interest for use as an electron injection/transport layer in high efficiency organic lightemitting diodes. Upon deposition of Mg onto PyPySPyPy there is a shift of the occupied energy level structure to higher binding energy, away from the Fermi level, and appearance of two energy levels within the energy gap of PyPySPyPy. The lowest unoccupied molecular orbital is also shifted to higher binding energy.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Fluorenyl - substituted silole molecules : geometric , electronic , optical , and device properties †

A series of silole molecules with fluorenyl substituents at varying positions—1-(9,9-dimethylfluoren-2yl)-1,2,3,4,5-pentaphenylsilole, 1-(fluoren-9-yl)-1,2,3,4,5-pentaphenylsilole, 1,1,3,4-tetraphenyl-2, 5-bis(9,9-dimethylfluoren-2-yl)silole, and 1,1-diphenyl-2,3,4,5-tetrakis(9,9-dimethylfluoren-2yl)silole—has been synthesized and compared to the previously reported compounds, 1,1,2,3,4,5hexaph...

متن کامل

The convenient fluorescence turn-on detection of heparin with a silole derivative featuring an ammonium group.

A new silole derivative with an ammonium group was designed and studied with a view to developing a convenient fluorescence turn-on assay for heparin by taking advantage of the aggregation-induced enhanced emission (AIE) feature of silole (silacyclopentadiene) molecules.

متن کامل

Investigation of nuclear magnetic resonance (NMR) and Binding Energies Clonidine Drug-Carbon Nano Tube: A Theoretical Study

In this work, we have studied binding of Clonidine drug (C9H9Cl2N3) with zigzag single walled carbonnanotubes (SWCNT) (5, 0) by theoretical methods of theory using Gaussian 09 software package.Binding energies, NMR parameters and HOMO- LUMO Gap energy were calculated. Results frombinding energies indicate that it is possible thermodynamically to bind Clonidine drug to SWCNT.The calculated NMR p...

متن کامل

Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study

In this research at the first fluoxetine drug and its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η), Thermodynamic Properties was determi...

متن کامل

Quantum chemistry studies on reactivity of the 2-Amino-3-(3,4-Dihydroxyphenyl)Propanoic Aciddrug linked to to C60

In this research at the first 2-amino-3-(3,4-dihydroxyphenyl) propanoic aciddrug  drug and its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2006