Experimental and computational energetic study of 1-R-2-phenylindole (RÂ =Â H, CH3, C2H5)

Additionally, the gas-phase enthalpies of formation of these compounds and also for 1-ethylindole were estimated by G3(MP2) calculations. Enthalpies of formation, obtained using appropriate working reactions, were calculated and compared with the experimental data. The results were also analysed in terms of structural enthalpic group contributions.