onr:"swepub:oai:gup.ub.gu.se/188099"
Search: onr:"swepub:oai:gup.ub.gu.se/188099" > 1,3-dipolar cycload...
- 1 of 1
- Previous record
- Next record
- To hitlist
| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 02884naa a2200445 4500 | |
| 001 | oai:gup.ub.gu.se/188099 | |
| 003 | SwePub | |
| 008 | 240528s2014 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://gup.ub.gu.se/publication/1880992 URI |
| 024 | 7 | a https://doi.org/10.2478/s11696-013-0440-72 DOI |
| 040 | a (SwePub)gu | |
| 041 | a eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Bekhradnia, Ahmadreza R.u Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology4 aut |
| 245 | 1 0 | a 1,3-dipolar cycloaddition between substituted phenyl azide and 2,3-dihydrofuran |
| 264 | 1 | b Springer Science and Business Media LLC,c 2014 |
| 520 | a A theoretical study was performed on the 1,3-dipolar cycloaddition between 2,3-dihydrofuran and substituted phenyl azide using Density Functional Theory (DFT) in combination with a 6-311++G(d,p) basis set. The optimum geometries for reactant, transition state and product, as well as the kinetic data, rate constants and reaction constant (rho) were investigated to rationalise the substitution effects and reaction rates of the 1,3-dipolar cycloaddition process in various solvents. The DFT calculation and Frontier Molecular Orbital (FMO) theory as well as the atomic Fukui indices show that the electron-withdrawing substituents enhance the reaction constant (rho > 0), especially in polar aprotic solvents. Consequently, small changes in the rate constant of the reaction in various solvents and geometric similarity between reactants and transition state structures were suggested as the early transition state mechanism for electron-withdrawing substituents. In addition, the slope of the Hammett plot and susceptibility of the reaction to electron-withdrawing substituents in various solvents confirmed the mechanism. (C) 2013 Institute of Chemistry, Slovak Academy of Sciences | |
| 650 | 7 | a NATURVETENSKAPx Kemi0 (SwePub)1042 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciences0 (SwePub)1042 hsv//eng |
| 653 | a DFT method | |
| 653 | a substituted phenyl azide | |
| 653 | a 2 | |
| 653 | a 3-dihydrofuran | |
| 653 | a 1 | |
| 653 | a 3-dipolar cycloadditions | |
| 653 | a Hammett | |
| 653 | a DIPOLAR APROTIC-SOLVENTS | |
| 653 | a DIELS-ALDER REACTION | |
| 653 | a FUKUI FUNCTIONS | |
| 653 | a INSIGHTS | |
| 653 | a MECHANISM | |
| 653 | a DENSITY | |
| 700 | 1 | a Arshadi, Sattan4 aut |
| 700 | 1 | a Siadati, S. A.4 aut |
| 710 | 2 | a Göteborgs universitetb Institutionen för kemi och molekylärbiologi4 org |
| 773 | 0 | t Chemical Papersd : Springer Science and Business Media LLCg 68:2, s. 283-290q 68:2<283-290x 0366-6352x 1336-9075 |
| 856 | 4 8 | u https://gup.ub.gu.se/publication/188099 |
| 856 | 4 8 | u https://doi.org/10.2478/s11696-013-0440-7 |
Find in a library
- Chemical Papers (Search for host publication in LIBRIS)
To the university's database
- 1 of 1
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Bekhradnia, Ahma ...
- Arshadi, Sattan
- Siadati, S. A.
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Chemical Science ...
- Articles in the publication
- Chemical Papers
- By the university
- University of Gothenburg
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
