Two-photon absorption properties of star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene

Xin Zhou; Ai Min Ren; Ji Kang Feng; Xiao Juan Liu

doi:10.1016/j.theochem.2003.10.040

Two-photon absorption properties of star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene

Xin Zhou^*
, Ai Min Ren
, Ji Kang Feng
, Xiao Juan Liu

^*Corresponding author for this work

Jilin University
College of Chemistry

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The one-photon absorption and two-photon absorption properties of 1,3,5-triazine and 1,3,5-trisubstituted benzene derivatives have been theoretically investigated by means of density functional theory B3LYP level and ZINDO-SOS method. The calculated results indicate that for a star-shaped molecule, if the peripheral groups with electron-accepting capability, the electron-donating or electron-withdrawing core has an important affect on the magnitude of the two-photon absorption cross section. In this paper, the two-photon absorption cross section for the molecule with an electron-donor core is 339.9×10^-50cm⁴s/photon, which is larger than that of the molecule with an electron-acceptor core (40.3×10 ^-50cm⁴s/photon) by one order of magnitude.

Original language	English
Pages (from-to)	229-234
Number of pages	6
Journal	Journal of Molecular Structure: THEOCHEM
Volume	668
Issue number	2-3
DOIs	https://doi.org/10.1016/j.theochem.2003.10.040
State	Published - 23 Jan 2004
Externally published	Yes

Keywords

Absorption
Density functional theory
Nonlinear

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10.1016/j.theochem.2003.10.040

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title = "Two-photon absorption properties of star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene",

abstract = "The one-photon absorption and two-photon absorption properties of 1,3,5-triazine and 1,3,5-trisubstituted benzene derivatives have been theoretically investigated by means of density functional theory B3LYP level and ZINDO-SOS method. The calculated results indicate that for a star-shaped molecule, if the peripheral groups with electron-accepting capability, the electron-donating or electron-withdrawing core has an important affect on the magnitude of the two-photon absorption cross section. In this paper, the two-photon absorption cross section for the molecule with an electron-donor core is 339.9×10-50cm4s/photon, which is larger than that of the molecule with an electron-acceptor core (40.3×10 -50cm4s/photon) by one order of magnitude.",

keywords = "Absorption, Density functional theory, Nonlinear",

author = "Xin Zhou and Ren, \{Ai Min\} and Feng, \{Ji Kang\} and Liu, \{Xiao Juan\}",

year = "2004",

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day = "23",

doi = "10.1016/j.theochem.2003.10.040",

language = "英语",

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journal = "Journal of Molecular Structure: THEOCHEM",

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}

TY - JOUR

T1 - Two-photon absorption properties of star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene

AU - Zhou, Xin

AU - Ren, Ai Min

AU - Feng, Ji Kang

AU - Liu, Xiao Juan

PY - 2004/1/23

Y1 - 2004/1/23

N2 - The one-photon absorption and two-photon absorption properties of 1,3,5-triazine and 1,3,5-trisubstituted benzene derivatives have been theoretically investigated by means of density functional theory B3LYP level and ZINDO-SOS method. The calculated results indicate that for a star-shaped molecule, if the peripheral groups with electron-accepting capability, the electron-donating or electron-withdrawing core has an important affect on the magnitude of the two-photon absorption cross section. In this paper, the two-photon absorption cross section for the molecule with an electron-donor core is 339.9×10-50cm4s/photon, which is larger than that of the molecule with an electron-acceptor core (40.3×10 -50cm4s/photon) by one order of magnitude.

AB - The one-photon absorption and two-photon absorption properties of 1,3,5-triazine and 1,3,5-trisubstituted benzene derivatives have been theoretically investigated by means of density functional theory B3LYP level and ZINDO-SOS method. The calculated results indicate that for a star-shaped molecule, if the peripheral groups with electron-accepting capability, the electron-donating or electron-withdrawing core has an important affect on the magnitude of the two-photon absorption cross section. In this paper, the two-photon absorption cross section for the molecule with an electron-donor core is 339.9×10-50cm4s/photon, which is larger than that of the molecule with an electron-acceptor core (40.3×10 -50cm4s/photon) by one order of magnitude.

KW - Absorption

KW - Density functional theory

KW - Nonlinear

UR - https://www.scopus.com/pages/publications/10744231743

U2 - 10.1016/j.theochem.2003.10.040

DO - 10.1016/j.theochem.2003.10.040

M3 - 文章

AN - SCOPUS:10744231743

SN - 0166-1280

VL - 668

SP - 229

EP - 234

JO - Journal of Molecular Structure: THEOCHEM

JF - Journal of Molecular Structure: THEOCHEM

IS - 2-3

ER -

Two-photon absorption properties of star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene

Abstract

Keywords

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