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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 760-762Spectroscopic Properties Calculation of some 1,...

Spectroscopic Properties Calculation of some 1, 8-Naphthalimide Derivatives

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Abstract:

The absorption and emission spectra of 1,8-naphthalimide derivatives have been calculated by time-dependent density functional theory. Their lowest singlet transition states can be described as the promotion of electrons from the HOMO to the LUMO. Substituents on naphthalimic ring seldom extend the conjugation of the central naphthalimic system.

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Periodical:

Advanced Materials Research (Volumes 760-762)

Pages:

724-727

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.760-762.724

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Online since:

September 2013

Authors:

Qi Qi, Fan Qi, Yu Qiao Wang, Zheng Jian Qi, Yue Ming Sun

Keywords:

1, 8-Naphthalimide Derivatives, Absorption Spectra, DFT, Emission Spectra, Frontier Orbitals

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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