Comparison between 1,2-Dihydropyridine and 1,4-Dihydropyridine on Hydride-Donating Ability and Activity
Abstract
:1. Introduction
2. Results
3. Discussion
3.1. Analysis of Thermodynamic Driving Forces of 1,2/4-PNAH, 1,2/4-HEH, and 1,2/4-PYH as Hydride Donors in Acetonitrile at 298 K
3.2. Analysis of Kinetic Intrinsic Barriers of 1,2/4-PNAH, 1,2/4-HEH, and 1,2/4-PYH as Hydride Donors in Acetonitrile at 298 K
3.3. Analysis of Thermo-Kinetic Parameters of 1,2/4-PNAH, 1,2/4-HEH, and 1,2/4-PYH as Hydride Donors in Acetonitrile at 298 K
4. Conclusions
Supplementary Materials
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
References
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PNAH + AcrH+ | HEH + TEMPO+ | PYH + PhXn+ | ||||
---|---|---|---|---|---|---|
1,2-PNAH | 1,4-PNAH | 1,2-HEH | 1,4-HEH | 1,2-PYH | 1,4-PYH | |
k2a | 10.06 | 12.30 | 1.44 × 105 | 2.34 × 103 | 9.50 × 10−1 | 4.76 × 101 |
ΔG≠ b | 16.05 | 15.96 | 10.41 | 12.85 | 17.47 | 15.16 |
ΔG° c | −15.70 | −14.30 | −37.30 | −35.70 | −21.70 | −19.00 |
Compounds | ΔG°(Y+) a | ΔG≠o(Y+) b |
---|---|---|
AcrH+ | −76.2 | −28.16 |
TEMPO+ | −100.7 | −37.13 |
PhXn+ | −91.6 | −34.01 |
1,2-PNAH | 1,4-PNAH | 1,2-HEH | 1,4-HEH | 1.2-PYH | 1,4-PYH | |
---|---|---|---|---|---|---|
ΔG°(XH) | 60.50 | 61.90 | 63.40 | 65.00 | 69.90 | 72.60 |
ΔG≠XH/X | 27.92 | 26.34 | 31.68 | 34.96 | 33.06 | 25.74 |
ΔG≠°(XH) | 44.21 | 44.12 | 47.54 | 49.98 | 51.48 | 49.17 |
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Zhang, J.-Y.; Zhu, X.-Q. Comparison between 1,2-Dihydropyridine and 1,4-Dihydropyridine on Hydride-Donating Ability and Activity. Molecules 2022, 27, 5382. https://doi.org/10.3390/molecules27175382
Zhang J-Y, Zhu X-Q. Comparison between 1,2-Dihydropyridine and 1,4-Dihydropyridine on Hydride-Donating Ability and Activity. Molecules. 2022; 27(17):5382. https://doi.org/10.3390/molecules27175382
Chicago/Turabian StyleZhang, Jin-Ye, and Xiao-Qing Zhu. 2022. "Comparison between 1,2-Dihydropyridine and 1,4-Dihydropyridine on Hydride-Donating Ability and Activity" Molecules 27, no. 17: 5382. https://doi.org/10.3390/molecules27175382