Author/Authors :
Busker، نويسنده , , Matthias and Svartsov، نويسنده , , Yuriy N. and Hنber، نويسنده , , Thomas and Kleinermanns، نويسنده , , Karl، نويسنده ,
Abstract :
We present size- and isomer-selective IR–UV double resonance spectra of two pyrazine dimer isomers. The most stable isomer has a planar structure, stabilized by two CH ⋯ N contacts. The other isomer has a stacked, cross-displaced structure. Our assignment is supported by B3LYP-D calculations. RI-MP2 calculations tend to overestimate the stability of the stacked and T-shaped isomers.
