Please wait a minute...
Chinese Physics, 2007, Vol. 16(11): 3323-3327    DOI: 10.1088/1009-1963/16/11/030

Solvent effects on structure and optical properties of a D-$\pi$-A azobenzene dye

Wang Chuan-Kui(王传奎)a), Xing Xiao-Juan(邢晓娟)a), Huang Xiao-Ming(黄晓明)a), and Gao Yun(高云)b)
College of Physics and Electronics, Shandong Normal University, Jinan 250014, China; Department of Physics, Heze College, Heze 274015, China
Abstract  Time-dependent hybrid density functional theory in combination with Onsager reaction field model and super-molecular model has been applied to study solvent effects on the geometrical and electronic structures, as well as one/two-photon absorption properties, of 4-(N-(2-hydroxyethyl)-N-methyl)-amino-4’-nitroazobenzene. It is found that the short-range interaction has a large effect on the electronic structure of the solute molecule, namely, large red-shift of the maximum one-photon absorption is induced by hydrogen bonding. The solute molecule has a large two-photon absorption cross section, which is enhanced by the solvent effect. The computational results are in good agreement with measurements.  
Keywords:  solvent effects      response theory      hydrogen bonding      two-photon absorption  
Accepted manuscript online: 
PACS:  33.70.Jg (Line and band widths, shapes, and shifts)  
  33.15.Bh (General molecular conformation and symmetry; stereochemistry)  
  33.15.Fm (Bond strengths, dissociation energies)  
  33.70.Ca (Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors)  
  33.80.Wz (Other multiphoton processes)  

Cite this article: 

Wang Chuan-Kui(王传奎), Xing Xiao-Juan(邢晓娟), Huang Xiao-Ming(黄晓明), and Gao Yun(高云) Solvent effects on structure and optical properties of a D-$\pi$-A azobenzene dye 2007 Chinese Physics 16 3323

[1] Effects of π-conjugation-substitution on ESIPT process for oxazoline-substituted hydroxyfluorenes
Di Wang(汪迪), Qiao Zhou(周悄), Qiang Wei(魏强), and Peng Song(宋朋). Chin. Phys. B, 2023, 32(2): 028201.
[2] Concerted versus stepwise mechanisms of cyclic proton transfer: Experiments, simulations, and current challenges
Yi-Han Cheng(程奕涵), Yu-Cheng Zhu(朱禹丞), Xin-Zheng Li(李新征), and Wei Fang(方为). Chin. Phys. B, 2023, 32(1): 018201.
[3] Computational design of ratiometric two-photon fluorescent Zn2+ probes based on quinoline and di-2-picolylamine moieties
Zhe Shao(邵哲), Wen-Ying Zhang(张纹莹), and Ke Zhao(赵珂). Chin. Phys. B, 2022, 31(5): 053302.
[4] Zebrafish imaging and two-photon fluorescence imaging using ZnSe quantum dots
Nan-Nan Zhang(张楠楠), Li-Ya Zhou(周立亚), Xiao Liu(刘潇), Zhong-Chao Wei(韦中超), Hai-Ying Liu(刘海英), Sheng Lan(兰胜), Zhao Meng(孟钊), and Hai-Hua Fan(范海华). Chin. Phys. B, 2021, 30(4): 044204.
[5] Ultrafast carrier dynamics of Cu2O thin film induced by two-photon excitation
Jian Liu(刘建), Jing Li(李敬), Kai-Jun Mu(牧凯军), Xin-Wei Shi(史新伟), Jun-Qiao Wang(王俊俏), Miao Mao(毛淼), Shu Chen(陈述), and Er-Jun Liang(梁二军). Chin. Phys. B, 2021, 30(11): 114205.
[6] Rules essential for water molecular undercoordination
Chang Q Sun(孙长庆). Chin. Phys. B, 2020, 29(8): 088203.
[7] Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion
Han Zhang(张瀚), Zhe Shao(邵哲), Ke Zhao(赵珂). Chin. Phys. B, 2020, 29(8): 083304.
[8] Broadband strong optical dichroism in topological Dirac semimetals with Fermi velocity anisotropy
J Lim(林镇杰), K J A Ooi(黄健安), C Zhang(涨潮), L K Ang(洪礼祺), Yee Sin Ang(洪逸欣). Chin. Phys. B, 2020, 29(7): 077802.
[9] Soliton evolution and control in a two-mode fiber with two-photon absorption
Qianying Li(李倩颖). Chin. Phys. B, 2020, 29(1): 014204.
[10] High-power ultraviolet 278-nm laser from fourth-harmonic generation of an Nd: YAG amplifier in CsB3O5 crystal
Miao He(何苗), Feng Yang(杨峰), Cheng Dong(董程), Zhi-Chao Wang(王志超), Lei Yuan(袁磊), Yi-Ting Xu(徐一汀), Guo-Chun Zhang(张国春), Zhi-Min Wang(王志敏), Yong Bo(薄勇), Qin-Jun Peng(彭钦军), Da-Fu Cui(崔大复), Yi-Cheng Wu(吴以成), Zu-Yan Xu(许祖彦). Chin. Phys. B, 2018, 27(5): 054211.
[11] Responsive mechanism and molecular design of di-2-picolylamine-based two-photon fluorescent probes for zinc ions
Mei-Yu Zhu(朱美玉), Ke Zhao(赵珂), Jun Song(宋军), Chuan-Kui Wang(王传奎). Chin. Phys. B, 2018, 27(2): 023302.
[12] Up-conversion luminescence tuning in Er3+-doped ceramic glass by femtosecond laser pulse at different laser powers
Wen-Jing Cheng(程文静), Guo Liang(梁果), Ping Wu(吴萍), Shi-Hua Zhao(赵世华), Tian-Qing Jia(贾天卿), Zhen-Rong Sun(孙真荣), Shi-An Zhang(张诗按). Chin. Phys. B, 2018, 27(12): 123201.
[13] Optical power limiting of ultrashort hyper-Gaussian pulses in cascade three-level system
Ji-Cai Liu(刘纪彩), Fen-Fen Guo(郭芬芬), Ya-Nan Zhao(赵亚男), Xing-Zhe Li(李兴哲). Chin. Phys. B, 2018, 27(10): 104209.
[14] Isomerism and coordination mode effects on two-photon absorption of tris(picolyl)amine-based fluorescent probes for zinc ions
Ke Zhao(赵珂), Jun Song(宋军), Mei-Yu Zhu(朱美玉), Han Zhang(张瀚), Chuan-Kui Wang(王传奎). Chin. Phys. B, 2018, 27(10): 103301.
[15] Simulating resonance-mediated two-photon absorption enhancement in rare-earth ions by a rectangle phase modulation
Da-Long Qi(齐大龙), Ye Zheng(郑烨), Wen-Jing Cheng(程文静), Yun-Hua Yao(姚云华), Lian-Zhong Deng(邓联忠), Dong-Hai Feng(冯东海), Tian-Qing Jia(贾天卿), Zhen-Rong Sun(孙真荣), Shi-An Zhang(张诗按). Chin. Phys. B, 2018, 27(1): 013202.
No Suggested Reading articles found!