Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Electronic archive o...arrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
Electronic archive of Tomsk Polytechnic University
Article . 2015
Data sources: Electronic archive of Tomsk Polytechnic University
Claim

This Research product is the result of merged Research products in OpenAIRE.

You have already added 0 works in your ORCID record related to the merged Research product.

Квантово-химический расчет зависимости энергии Гиббса реакции дезиодирования иодаренов от pKa кислот и от ?+-констант Гаммета

descriptionPublicationkeyboard_double_arrow_right Article 20 Nov 2015 Russian Publisher:Томский политехнический университет

Квантово-химический расчет зависимости энергии Гиббса реакции дезиодирования иодаренов от pKa кислот и от ?+-констант Гаммета

Abstract

При помощи DFT (B3LYP/3-21G(d,p)) метода рассчитана термодинамика реакции дезиодирования пара-замещенных аренов кислотами. Сопоставлением вычисленных свободной энергии Гиббса и геометрических параметров с экспериментальными значениями ?+пара-констант Гаммета выявлена близкая к линейной зависимость. Показано, что ?G линейно зависит от показателя кислотности соответствующей кислоты.

Related Organizations
Keywords

кислотность, иодирование, арены, энергия Гиббса, кислоты, константы Гаммета, электрофильное замещение, квантово-химические расчеты, экспериментальные значения, линейные зависимости, метод функционала плотности, иодарены, термодинамика, геометрические параметры, дезиодирование

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 0
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green