Fig. 2: Structures of CH5NO isomers. | Nature Communications

Fig. 2: Structures of CH5NO isomers.

From: Experimental identification of aminomethanol (NH2CH2OH)—the key intermediate in the Strecker Synthesis

Fig. 2

Ranges of calculated adiabatic ionization energies (IEs) accounting for the error limits and relative energies (∆E) calculated at the CCSD(T)/CBS//CCSD(T)/aug-cc-pVTZ level of theory in eV and kJ mol−1, respectively. Geometrical parameters, bond length, and angles are provided in picometer and degrees, respectively. Cartesian coordinates of the structures and their calculated vibrational frequencies are provided in Supplementary Data 1 and 2, respectively.

Back to article page