Hydrogen-bonding study of photoexcited 4-nitro-1,8-naphthalimide in hydrogen-donating solvents

Hydrogen-bonding study of photoexcited 4-nitro-1,8-naphthalimide in hydrogen-donating solvents

The solute–solvent interactions of 4-nitro-1,8-naphthalimide (4NNI) as a hydrogen bond acceptor in hydrogen donating methanol (MeOH) solvent in electronic excited states were investigated by means of the time-dependent density functional theory(TDDFT). We calculated the S0 state geometry optimizatio...

Full description

Bibliographic Details
Main Authors: Cao Jianfang, Wu Hongmei, Zheng Yue, Nie Fangyuan, Li Ming, Zou Chenchen
Format: Article
Language:English
Published: De Gruyter 2016-01-01
Series:Open Physics
Subjects:
4-nitro-1,8-naphthalimide
Excited state
Hydrogen bonding dynamics
Electronic spectra
71.10.-w
71.10.Li
Online Access:http://www.degruyter.com/view/j/phys.2016.14.issue-1/phys-2016-0071/phys-2016-0071.xml?format=INT

Internet

http://www.degruyter.com/view/j/phys.2016.14.issue-1/phys-2016-0071/phys-2016-0071.xml?format=INT

Similar Items