In the current work,we studied the infrared spectroscopy of neutral and cationic 2-ethoxyethanol(CH_(3)CH_(2)O CH_(2)CH_(2)OH,2-EE)using the infrared(IR)-vacuum-ultraviolet(VUV)non-resonant ionization and fragmenta-tion detected IR spectroscopy(NRIFD-IR)technique.The spectral range was from 2700 cm^(−1)to 7250 cm^(−1).Upon radiation with a 118 nm laser,signals corresponding to the cationic 2-EE(m/z=90)and dissociative ioniza-tion products(m/z=72,59,46,and 45)were detected.The action IR spectra,derived from the signal variations of 2-EE and its fragments upon IR radiation,display differences,suggest-ing vibrational mode selectivity in the dissociative ionization process.To complement the ex-perimental findings,we performed density functional theory calculations at the B3LYP-D3(BJ)/def2-TZVPP level to determine the structures and anharmonic IR spectra of neutral and cationic 2-EE.The computed spectra showed good agreement with the experimental re-sults.
Licheng ZhongEnde HuangGuosheng WangJingning XueWenrui DongXueming Yang
