Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids

2013 ◽  
Vol 15 (5) ◽  
pp. 1632-1646 ◽  
Author(s):  
Jason Rigby ◽  
Ekaterina I. Izgorodina
2013 ◽  
Vol 34 (5) ◽  
pp. 054009 ◽  
Author(s):  
Liqiang Han ◽  
Suying Yao ◽  
Jiangtao Xu ◽  
Chao Xu ◽  
Zhiyuan Gao

1989 ◽  
Vol 70 (5) ◽  
pp. 567-571 ◽  
Author(s):  
Jun Kawai ◽  
Yoshimasa Nihei ◽  
Masanori Fujinami ◽  
Yasuhiro Higashi ◽  
Sei Fukushima ◽  
...  

1996 ◽  
Vol 8 (42) ◽  
pp. 7883-7898 ◽  
Author(s):  
A Gonis ◽  
P E A Turchi ◽  
J Kudrnovský ◽  
V Drchal ◽  
I Turek

2017 ◽  
Vol 5 (38) ◽  
pp. 9972-9978 ◽  
Author(s):  
Masato Mitani ◽  
Masafumi Yoshio ◽  
Takashi Kato

Excited intramolecular charge transfer states affect luminescence color of the supramolecular assembly formed by amphiphilic liquid crystals and ionic liquids.


1982 ◽  
Vol 37 (5) ◽  
pp. 649-652 ◽  
Author(s):  
N. Miyoshi ◽  
M. Ueda ◽  
K. Fuke ◽  
Y. Tanimoto ◽  
M. Itoh ◽  
...  

Singlet oxygen was generated by the photosensitization of erythrosine. The lifetime of singlet oxygen and the quenching rate constant for singlet oxygen by NaN3 were measured by a thermal lensing method in MeOH-H2O mixed solvents. The reciprocal of the lifetime increased linearly with the increase of the H2O mole fraction. Semi-log plot of the quenching constant against the reciprocal of the solvent polarity exhibited a linear relation. The quenching of the singlet oxygen by NaN3 may proceed through a partial charge-transfer intermediate. The activation energy for the quenching reaction of N3- + 1O2 →[N3·1O2-] increased with the increase of the solvent polarity. The lifetime was also measured in MeOH-ethyleneglycol mixed solvents, and its relation with viscosity was obtained


2013 ◽  
Vol 3 (1) ◽  
Author(s):  
B. Amin ◽  
S. Nazir ◽  
U. Schwingenschlögl

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