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Pregled bibliografske jedinice broj: 1093149

Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines


Saadat, Kayvan; Shiri, Ali; Kovačević, Borislav
Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines // The Journal of Organic Chemistry, 85 (2020), 17; 11375-11381 doi:10.1021/acs.joc.0c01466 (međunarodna recenzija, članak, ostalo)


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Naslov
Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines

Autori
Saadat, Kayvan ; Shiri, Ali ; Kovačević, Borislav

Izvornik
The Journal of Organic Chemistry (0022-3263) 85 (2020), 17; 11375-11381

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, ostalo

Ključne riječi
organic superbases, troponimines

Sažetak
N this study, using a computational approach, we are pursuing to find a proper answer about the possible application of fused TIs as superbases through the calculation and discussion of standard thermochemistry parameters, like gas-phase basicity (GB) and proton affinity (PA). In some studied cases, the role of aromaticity/antiaromaticity fluctuations supposed to be more important than mesomeric effects. In this sense, nucleus-independent chemical shift (NICS) and anisotropy of the induced current density (ACID) were utilized in this study to probe into the aromaticity-related parameters of the proposed molecules. Results revealed the highest GB/PA values for the molecules having cyclobutadiene in between two troponimines. Additional investigation was performed into the other candidates of cyclobutadiene-fused troponimines by substituting several electron donors along with the changing position of donors. Some novel superbases offered record-holding GB/PA values so that PA magnitudes higher than 300 kcal mol–1 are now feasible for nonphosphorous neutral organic superbases (NOS).

Izvorni jezik
Engleski



POVEZANOST RADA


Profili:

Avatar Url Borislav Kovačević (autor)

doi

Citiraj ovu publikaciju

Saadat, Kayvan; Shiri, Ali; Kovačević, Borislav
Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines // The Journal of Organic Chemistry, 85 (2020), 17; 11375-11381 doi:10.1021/acs.joc.0c01466 (međunarodna recenzija, članak, ostalo)
Saadat, K., Shiri, A. & Kovačević, B. (2020) Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines. The Journal of Organic Chemistry, 85 (17), 11375-11381 doi:10.1021/acs.joc.0c01466.
@article{article, year = {2020}, pages = {11375-11381}, DOI = {10.1021/acs.joc.0c01466}, keywords = {organic superbases, troponimines}, journal = {The Journal of Organic Chemistry}, doi = {10.1021/acs.joc.0c01466}, volume = {85}, number = {17}, issn = {0022-3263}, title = {Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines}, keyword = {organic superbases, troponimines} }
@article{article, year = {2020}, pages = {11375-11381}, DOI = {10.1021/acs.joc.0c01466}, keywords = {organic superbases, troponimines}, journal = {The Journal of Organic Chemistry}, doi = {10.1021/acs.joc.0c01466}, volume = {85}, number = {17}, issn = {0022-3263}, title = {Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines}, keyword = {organic superbases, troponimines} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


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