Two ground state conformers of the proton sponge 1,8-bis(dimethylamino)naphthalene revealed by fluorescence spectroscopy and ab-initio calculations

摘要: The S1 S0 transitions of the "proton sponge" 1,8-bis(dimethylamino)naphthalene have been studied by experiment and ab initio calculations. Fluorescence excitation single vibronic level emission spectroscopy on sample seeded in a supersonic expansion lead to conclusion that molecule can adopt two conformations ground state. This is supported calculations at HF/6-31G* level. most stable conformer shown carry spectroscopic characteristics naphthalene chromophore, while torsional motions dimethylamino groups dominate other conformer.