Quantum chemical calculations on the interaction of diazomethane with proton acids |
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| Authors: | Herfried Griengl Rudolf Janoschek |
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| Institution: | Institut für Organische Chemie und Organisch-Chemische Technologie, Technische Universität Graz, Stremayr-gasse 16, A-8010 Graz, Austria;Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-7000 Stuttgart, BRD |
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| Abstract: | Diazoalkanes may form H-bonded associates with weak proton acids, whereas with strong acids proton transfer leads to the diazonium ion. In order to get information about protonation and association at and N, the corresponding energy balances, electron charge distributions and bond strengths have been calculated by means of quantum chemical ab initio methods with diazomethane as substrate and HF,NH4+, OH3+ as acids. |
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