Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions
In order to examine the effect of oriented (static) electric fields (OEF) on the kinetics of some representative Suzuki–Miyaura and metal-cluster mediated reactions at ambient temperatures, density functional theory-based calculations are reported herein. Results indicate that, in general, OEF can f...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-08-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/16/6169 |
| _version_ | 1797583639562682368 |
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| author | Navya Arepalli Sukanta Mondal Debdutta Chakraborty Pratim Kumar Chattaraj |
| author_facet | Navya Arepalli Sukanta Mondal Debdutta Chakraborty Pratim Kumar Chattaraj |
| author_sort | Navya Arepalli |
| collection | DOAJ |
| description | In order to examine the effect of oriented (static) electric fields (OEF) on the kinetics of some representative Suzuki–Miyaura and metal-cluster mediated reactions at ambient temperatures, density functional theory-based calculations are reported herein. Results indicate that, in general, OEF can facilitate the kinetics of the concerned reactions when applied along the suitable direction (parallel or anti-parallel with respect to the reaction axis). The reverse effect happens if the direction of the OEF is flipped. OEF (when applied along the ‘right’ direction) helps to polarize the transition states in the desired direction, thereby facilitating favorable bonding interactions. Given the growing need for finding appropriate catalysts among the scientific community, OEF can prove to be a vital route for the same. |
| first_indexed | 2024-03-10T23:41:41Z |
| format | Article |
| id | doaj.art-a620f6aef2a047d7bfad37e3ec8a589a |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T23:41:41Z |
| publishDate | 2023-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-a620f6aef2a047d7bfad37e3ec8a589a2023-11-19T02:26:03ZengMDPI AGMolecules1420-30492023-08-012816616910.3390/molecules28166169Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated ReactionsNavya Arepalli0Sukanta Mondal1Debdutta Chakraborty2Pratim Kumar Chattaraj3Department of Chemistry, Birla Institute of Technology, Mesra, Ranchi 835215, Jharkhand, IndiaDepartment of Education, A. M. School of Educational Sciences, Assam University, Silchar 788011, Assam, IndiaDepartment of Chemistry, Birla Institute of Technology, Mesra, Ranchi 835215, Jharkhand, IndiaDepartment of Chemistry, Birla Institute of Technology, Mesra, Ranchi 835215, Jharkhand, IndiaIn order to examine the effect of oriented (static) electric fields (OEF) on the kinetics of some representative Suzuki–Miyaura and metal-cluster mediated reactions at ambient temperatures, density functional theory-based calculations are reported herein. Results indicate that, in general, OEF can facilitate the kinetics of the concerned reactions when applied along the suitable direction (parallel or anti-parallel with respect to the reaction axis). The reverse effect happens if the direction of the OEF is flipped. OEF (when applied along the ‘right’ direction) helps to polarize the transition states in the desired direction, thereby facilitating favorable bonding interactions. Given the growing need for finding appropriate catalysts among the scientific community, OEF can prove to be a vital route for the same.https://www.mdpi.com/1420-3049/28/16/6169oriented electric fieldkineticsSuzuki–Miyaura reactionmetal clustertransition state stabilization |
| spellingShingle | Navya Arepalli Sukanta Mondal Debdutta Chakraborty Pratim Kumar Chattaraj Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions Molecules oriented electric field kinetics Suzuki–Miyaura reaction metal cluster transition state stabilization |
| title | Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions |
| title_full | Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions |
| title_fullStr | Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions |
| title_full_unstemmed | Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions |
| title_short | Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki–Miyaura and Metal-Cluster Mediated Reactions |
| title_sort | impact of static oriented electric fields on the kinetics of some representative suzuki miyaura and metal cluster mediated reactions |
| topic | oriented electric field kinetics Suzuki–Miyaura reaction metal cluster transition state stabilization |
| url | https://www.mdpi.com/1420-3049/28/16/6169 |
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