Novel 3,6-unsymmetrically disubstituted-1,2,4,5-tetrazines: S-induced one-pot synthesis, properties and theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (16) ◽  
pp. 12277-12286 ◽  
Author(s):  
Chen Li ◽  
Haixia Ge ◽  
Bing Yin ◽  
Mengyao She ◽  
Ping Liu ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Electrochemical Properties ◽  
Theoretical Investigation ◽  
Theoretical Study ◽  
One Pot ◽  
One Pot Synthesis ◽  
Synthesis Properties ◽  
Spectral And Electrochemical Properties

18 unprecedented 3,6-unsymmetrically disubstituted-1,2,4,5-tetrazines were synthesized, and their spectral and electrochemical properties are studied. A systematic theoretical investigation based on DFT calculations was carried out.

ChemInform Abstract: Novel 3,6-Unsymmetrically Disubstituted-1,2,4,5-tetrazines: S-Induced One-Pot Synthesis, Properties and Theoretical Study.

ChemInform ◽  
2015 ◽  
Vol 46 (26) ◽  
pp. no-no
Author(s):  
Chen Li ◽  
Haixia Ge ◽  
Bing Yin ◽  
Mengyao She ◽  
Ping Liu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
One Pot ◽  
One Pot Synthesis ◽  
Synthesis Properties

A theoretical study on the spectral and electrochemical properties of Ferrocene in different solvents

2013 ◽  
Vol 407 ◽  
pp. 82-90 ◽  
Author(s):  
Gianfranco Cattenacci ◽  
Massimiliano Aschi ◽  
Giuseppe Graziano ◽  
Andrea Amadei
Keyword(s):  
Electrochemical Properties ◽  
Theoretical Study ◽  
Spectral And Electrochemical Properties

One-pot synthesis and the electrochemical properties of nano-structured nickel selenide materials with hierarchical structure

CrystEngComm ◽  
2013 ◽  
Vol 15 (14) ◽  
pp. 2624 ◽  
Author(s):  
Liwei Mi ◽  
Qi Ding ◽  
Hui Sun ◽  
Weihua Chen ◽  
Yingying Zhang ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Hierarchical Structure ◽  
One Pot ◽  
One Pot Synthesis

Using a traceless directing group for the silver-mediated synthesis of 3-trifluoromethylpyrazoles: a computational study on the mechanism and origins of regioselectivity

2018 ◽  
Vol 5 (23) ◽  
pp. 3374-3381 ◽  
Author(s):  
Feiyun Jia ◽  
Jiewei Luo ◽  
Bo Zhang
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Computational Study ◽  
One Pot ◽  
Functional Theory ◽  
One Pot Synthesis ◽  
Directing Group

The silver-mediated one-pot synthesis of 3-trifluoromethylpyrazoles using a traceless directing group was investigated by density functional theory (DFT) calculations.

An experimental and theoretical study of dimethylaminostyryl BODIPY-perylenetetracarboxylic derivative dyads: synthesis, properties and DFT calculation

RSC Advances ◽  
2016 ◽  
Vol 6 (28) ◽  
pp. 23094-23101 ◽  
Author(s):  
Hongwei Kang ◽  
Yubing Si ◽  
Jing Liu ◽  
Lin Chen ◽  
Yanchun Li ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Physical Properties ◽  
Dft Calculation ◽  
Theoretical Study ◽  
Spectroscopic Examination ◽  
Synthesis Properties

Three novel dyads composed of perylene tetracarboxylic unit and BODIPY moiety were synthesized and subjected to detailed spectroscopic examination and DFT calculations. Comparisons about the physical properties with changed acceptors were made.

Facile one pot synthesis and Li-cycling properties of MnO2

RSC Advances ◽  
2015 ◽  
Vol 5 (74) ◽  
pp. 60552-60561 ◽  
Author(s):  
P. Nithyadharseni ◽  
M. V. Reddy ◽  
Ho Fanny ◽  
S. Adams ◽  
B. V. R. Chowdari
Keyword(s):  
Electrochemical Properties ◽  
Molten Salt ◽  
Molten Salt Method ◽  
One Pot ◽  
One Pot Synthesis

MnO2 compounds prepared by a molten salt method (MSM) using three different Mn-salts and studied for its electrochemical properties.

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