| 발행년도/권호 |
2008 년 / 권호: V.20,no.5,Oct |
| 논문제목1(원어) |
Characteristics of HOMO and LUMO Potentials by Altering Substituents:
Computational and Electrochemical Determination
|
| 논문제목2(타언어) |
Characteristics of HOMO and LUMO Potentials by Altering Substituents:
Computational and Electrochemical Determination
|
| 저자(원어) |
Young-Sung Kim, Sung-Hoon Kim1, Tae-Kyung Kim1 and Young-A Son |
| 저자(타언어) |
Young-Sung Kim, Sung-Hoon Kim1, Tae-Kyung Kim1 and Young-A Son |
| 소속(원어) |
Chungnam National University,1 Kyungpook National University |
| 소속(타언어) |
Chungnam National University,1 Kyungpook National University |
| 시작/끝
페이지 |
41 ~ 46 총페이지 : 6 |
| 언어(원어) |
English |
| 초록 |
Recently, computational calculation of molecular energy potentials and electrochemical reduction/oxidation behaviors are of very importance in view point of prediction of dye\'s properties such as energy levels and bandgaps of absorption. This can be influenced by their different constituents or substituents in chromogen molecules. Structural conformations and properties with computational modeling calculation are numerically simulated, which are fully or partly based on fundamental laws of physics. In addition, cyclic voltammetric measurement was used to obtain the experimental redox potential values, which were compared to the computed simulation values.
|
| 키워드 |
cyclic voltammetry, HOMO, LUMO, computational calculation, antraquinone dye, molecular modelin
|
| 학회지 |
|
| Reference |
http://www.koreascience.or.kr/article/ArticleFullRecord.jsp?cn=OSGGBT_2008_v20n5_41 |
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