Negative-ion photoelectron spectroscopy of acrylonitrile clusters containing a sodium atom

Abstract

Cluster anions of a sodium atom with acrylonitrile molecules, % MathType!MTEF!2!1!+- % feaafaart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn % hiov2DGi1BTfMBaeXatLxBI9gBaerbd9wDYLwzYbItLDharqqtubsr % 4rNCHbGeaGqiVu0Je9sqqrpepC0xbbL8F4rqqrFfpeea0xe9Lq-Jc9 % vqaqpepm0xbba9pwe9Q8fs0-yqaqpepae9pg0FirpepeKkFr0xfr-x % fr-xb9adbaqaaeGaciGaaiaabeqaamaabaabaaGcbaGaaeOtaiaabg % gacaGGOaGaaeyqaiaab6eacaGGPaWaa0baaSqaaiaad6gaaeaacqGH % sislaaaaaa!3C9B! $$ {\rm{Na}}({\rm{AN}})_n^ - $$ (n = 0–6), have been studied by negative-ion photoelectron spectroscopy. In addition, theoretical calculations by using density functional theory have been performed to obtain optimized structures and vertical detachment energies. For Na(AN)–, the spectrum can be explained by excitation of two different isomers of the anion. For % MathType!MTEF!2!1!+- % feaafaart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn % hiov2DGi1BTfMBaeXatLxBI9gBaerbd9wDYLwzYbItLDharqqtubsr % 4rNCHbGeaGqiVu0Je9sqqrpepC0xbbL8F4rqqrFfpeea0xe9Lq-Jc9 % vqaqpepm0xbba9pwe9Q8fs0-yqaqpepae9pg0FirpepeKkFr0xfr-x % fr-xb9adbaqaaeGaciGaaiaabeqaamaabaabaaGcbaGaaeOtaiaabg % gacaGGOaGaaeyqaiaab6eacaGGPaWaa0baaSqaaiaaiodaaeaacqGH % sislaaaaaa!3C65! $$ {\rm{Na}}({\rm{AN}})_3^ - $$ , a broad band is found in the photoelectron spectrum, whose profile is almost identical with those of previously reported photoelectron spectra of % MathType!MTEF!2!1!+- % feaafaart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn % hiov2DGi1BTfMBaeXatLxBI9gBaerbd9wDYLwzYbItLDharqqtubsr % 4rNCHbGeaGqiVu0Je9sqqrpepC0xbbL8F4rqqrFfpeea0xe9Lq-Jc9 % vqaqpepm0xbba9pwe9Q8fs0-yqaqpepae9pg0FirpepeKkFr0xfr-x % fr-xb9adbaqaaeGaciGaaiaabeqaamaabaabaaGcbaGaaiikaiaabg % eacaqGobGaaiykamaaDaaaleaacaaIZaaabaGaeyOeI0caaaaa!3AB0! $$ ({\rm{AN}})_3^ - $$ and a negative ion of chemically synthesized 1,3,5-cyclohexanetricarbonitrile (CHTCN) molecule. From this resemblance of band profiles, we conclude that oligomerization of (AN)3 takes place in % MathType!MTEF!2!1!+- % feaafaart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn % hiov2DGi1BTfMBaeXatLxBI9gBaerbd9wDYLwzYbItLDharqqtubsr % 4rNCHbGeaGqiVu0Je9sqqrpepC0xbbL8F4rqqrFfpeea0xe9Lq-Jc9 % vqaqpepm0xbba9pwe9Q8fs0-yqaqpepae9pg0FirpepeKkFr0xfr-x % fr-xb9adbaqaaeGaciGaaiaabeqaamaabaabaaGcbaGaaeOtaiaabg % gacaGGOaGaaeyqaiaab6eacaGGPaWaa0baaSqaaiaaiodaaeaacqGH % sislaaaaaa!3C65! $$ {\rm{Na}}({\rm{AN}})_3^ - $$ and the CHTCN is formed as the intracluster reaction product.