| Autor: |
Sinha, Swapan, Das, Subhra, Ray, Kritish Kumar, Maity, Sibaprasad, Roymahapatra, Gourisankar, Giri, Santanab |
| Zdroj: |
Physical Chemistry Chemical Physics (PCCP); 9/21/2024, Vol. 26 Issue 35, p23073-23079, 7p |
| Abstrakt: |
Herein, the separation of a disulfide bond using different nucleophilic agents like tri-methyl phosphine (TMP), tris (2-carboxyethyl) phosphine (TCEP), and N-heterocyclic carbene (NHC) has been investigated. Both TMP and TCEP have demonstrated their ability to break disulfide bonds through the SN2 mechanism. However, it is worth noting that these reactions are endothermic. While searching for a suitable nucleophile, it was observed that the NHC-mediated reaction was exothermic. The natural bond orbital (NBO), principal interacting orbital (PIO) and extended transition state-natural orbitals for chemical valence (ETS-NOCV) studies help understand the electron transfer process between interacting orbitals during the chemical reactions. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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