Theoretical investigation of the electrophilic attack. IX.Ab initiostudy of the C2H4· HF molecular complex

1982 ◽  
Vol 22 (3) ◽  
pp. 631-637 ◽  
Author(s):  
D. Volkmann ◽  
B. Z̈rawski ◽  
D. Heidrich
Keyword(s):  
Theoretical Investigation ◽  
Molecular Complex ◽  
Electrophilic Attack

scholarly journals Theoretical investigation on the mechanism of the OH-initiated degradation process of reactive red 2 azo dye

RSC Advances ◽  
2017 ◽  
Vol 7 (66) ◽  
pp. 41799-41811 ◽  
Author(s):  
Cheng Luo ◽  
Hongjie Wang ◽  
Wenyi Dong ◽  
Xianbing Zhang
Keyword(s):  
Theoretical Investigation ◽  
Azo Dye ◽  
Degradation Process ◽  
Nucleophilic Attack ◽  
Dual Descriptor ◽  
Electrophilic Attack ◽  
Bond Lengths ◽  
Reactive Red 2 ◽  
Hydrazone Form

The dual descriptor (Δf) data of azo form (a, RR2) and hydrazone form (b, HRR2) of RR2 dianion. For Δf> 0 (green), the site is favorable for nucleophilic attack, for Δf< 0 (blue), the site is favorable for electrophilic attack. Key bond lengths in Å.

FOURIER-TRANSFORM MICROWAVE AND MILLIMETERWAVE SPECTROSCOPY OF THE H2-HCN MOLECULAR COMPLEX

2015 ◽  
Author(s):  
Keiichi Tanaka ◽  
Yasuki Endo ◽  
Masakazu Nakajima ◽  
Yoshihiro Sumiyoshi ◽  
Kensuke Harada
Keyword(s):  
Fourier Transform ◽  
Molecular Complex
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