[Uni Tübingen] - [Mat.-Nat. Fakultät] - [Fachbereich Chemie] - [Anorg. Chemie] - [Klaus Eichele] - [NMR Ramblings] - [Spin Systems] - AA'X Spin System
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Spin System: AA'X Simulation | X Part |
Input Section
Please enter the three coupling constants (in Hz), as well as the desired total width of the simulated spectrum in pixels (be reasonable ;-). The simulation is based on the exact transition energies and intensities reported by Garbisch [2]. To prevent a division by zero problem if J(AA') = 0, its value will be set to 0.00001 Hz internally.
Simulation of AA'X, X part
| ν10 = | 52.97 Hz | I10 = | 0.0273 | plot limits: | |
| ν11 = | 22.50 Hz | I11 = | 0.2500 | high frequency: | 63.57 |
| ν12, ν13 = | 0.00 Hz | I12+I13 = | 0.4454 | low frequency: | -63.57 |
| ν14 = | -22.50 Hz | I14 = | 0.2500 | ||
| ν15 = | -52.97 Hz | I15 = | 0.0273 | ||
| N = | 45.00 Hz | so = | 105.9481 | ||
References
- Günther, H. NMR-Spektroskopie, Eine Einführung. Georg Thieme Verlag, Stuttgart, 1973.
- Garbisch, E. W., Jr., J. Chem. Educ. 1968, 45, 402-416, DOI: 10.1021/ed045p402.
- Dischler, B. Angew. Chem. 1966, 78, 653-663, DOI: 10.1002/ange.19660781302;
Angew. Chem. Int. Ed. Engl. 1966, 5, 623-633, DOI: 10.1002/anie.196606231.
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