Large negative hyperpolarizabilities (β) of the protonated schiff bases of the azulenic retinal analogues

P. Wang; C. Ye

doi:10.1007/BF02900433

Large negative hyperpolarizabilities (β) of the protonated schiff bases of the azulenic retinal analogues

P. Wang, C. Ye

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3 Scopus citations

Abstract

The molecular first hyperpolarizabilities (β) and electronic properties of some azulenic retinal analogues and their derivatives have been investigated theoretically by employing semiempirical approaches. The results indicate that the protonated Schiff bases (PSB) of the 2-substituted azulenic retinal analogues possess extremely large negative β values and very good transparency. These can be attributed to the large difference between the ground state dipole moment and the first excited state dipole moment according to the electronic property analysis. The characteristic blue-shifted absorption in polar solvents of the 2-substituted PSB chromophores can be Well explained by the negative solva-tochromic effects. The largest calculated /μβ/ value can reach the magnitude of 10^-44 esu, which is close to the highest reported values of synthesized chromophores.

Original language	English
Pages (from-to)	831-835
Number of pages	5
Journal	Chinese Science Bulletin
Volume	46
Issue number	10
DOIs	https://doi.org/10.1007/BF02900433
State	Published - 2001
Externally published	Yes

Keywords

Azulene
Molecular first hyperpolarizability
Nonlinear optics
Retinal derivatives
Theoretical calculation

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10.1007/BF02900433

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title = "Large negative hyperpolarizabilities (β) of the protonated schiff bases of the azulenic retinal analogues",

abstract = "The molecular first hyperpolarizabilities (β) and electronic properties of some azulenic retinal analogues and their derivatives have been investigated theoretically by employing semiempirical approaches. The results indicate that the protonated Schiff bases (PSB) of the 2-substituted azulenic retinal analogues possess extremely large negative β values and very good transparency. These can be attributed to the large difference between the ground state dipole moment and the first excited state dipole moment according to the electronic property analysis. The characteristic blue-shifted absorption in polar solvents of the 2-substituted PSB chromophores can be Well explained by the negative solva-tochromic effects. The largest calculated /μβ/ value can reach the magnitude of 10-44 esu, which is close to the highest reported values of synthesized chromophores.",

keywords = "Azulene, Molecular first hyperpolarizability, Nonlinear optics, Retinal derivatives, Theoretical calculation",

author = "P. Wang and C. Ye",

note = "Funding Information: Acknowledgements This work was supported by the National Natural",

year = "2001",

doi = "10.1007/BF02900433",

language = "English",

volume = "46",

pages = "831--835",

journal = "Chinese Science Bulletin",

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TY - JOUR

T1 - Large negative hyperpolarizabilities (β) of the protonated schiff bases of the azulenic retinal analogues

AU - Wang, P.

AU - Ye, C.

N1 - Funding Information: Acknowledgements This work was supported by the National Natural

PY - 2001

Y1 - 2001

N2 - The molecular first hyperpolarizabilities (β) and electronic properties of some azulenic retinal analogues and their derivatives have been investigated theoretically by employing semiempirical approaches. The results indicate that the protonated Schiff bases (PSB) of the 2-substituted azulenic retinal analogues possess extremely large negative β values and very good transparency. These can be attributed to the large difference between the ground state dipole moment and the first excited state dipole moment according to the electronic property analysis. The characteristic blue-shifted absorption in polar solvents of the 2-substituted PSB chromophores can be Well explained by the negative solva-tochromic effects. The largest calculated /μβ/ value can reach the magnitude of 10-44 esu, which is close to the highest reported values of synthesized chromophores.

AB - The molecular first hyperpolarizabilities (β) and electronic properties of some azulenic retinal analogues and their derivatives have been investigated theoretically by employing semiempirical approaches. The results indicate that the protonated Schiff bases (PSB) of the 2-substituted azulenic retinal analogues possess extremely large negative β values and very good transparency. These can be attributed to the large difference between the ground state dipole moment and the first excited state dipole moment according to the electronic property analysis. The characteristic blue-shifted absorption in polar solvents of the 2-substituted PSB chromophores can be Well explained by the negative solva-tochromic effects. The largest calculated /μβ/ value can reach the magnitude of 10-44 esu, which is close to the highest reported values of synthesized chromophores.

KW - Azulene

KW - Molecular first hyperpolarizability

KW - Nonlinear optics

KW - Retinal derivatives

KW - Theoretical calculation

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SN - 1001-6538

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EP - 835

JO - Chinese Science Bulletin

JF - Chinese Science Bulletin

IS - 10

ER -

Large negative hyperpolarizabilities (β) of the protonated schiff bases of the azulenic retinal analogues

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Keywords

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