Journal of Physical Chemistry A, Vol.124, No.12, 2398-2407, 2020
Conformational Landscapes and Infrared Spectra of Gas -phase Interstellar Molecular Clusters [(C3H3N)(CH3OH), n=1-4]
Acr:yi0 ilitrije (A) closelye oyn of the tihnieP:ehrrlitcgailinntisoiafnijstioeferfoundotAneu.linaddrconsideredmclieculeis'(mwh)icishHolensreeu.of,the ct)111mineenidlYtuhreseeladitnesfdt a1vrte ednts('IR) 'sPectriae- their methane ter sPace.;. we ebta) lusters ersonic jet by monitoringof size photon in ou (n 1-4 c in suP ultraviolet sing 4) 2700-3800 cm -. e CH stretching regiots, inii.i.hil,e those stretching regions with t e Increase of methanol molec S 3200 3400 3600 SPeetCh0d) were eniPloYed to comPare. vatli the exPerimental results. For. AM, AMD an th structures with the methanol cyclic h drogen bonded with [N1 C4(H6)] of acrYlonitrile a.re.more.stdab.lethan the otherdH-bc3in' deed structures. For the most stable structuYres o 4, li the results show that the ac,rylonitnle is htu tonngtra., which \vete predicted with the 133LYF-11)3. (FJ)/aug-cc-pfvpz...oweirer, wavfoernmuemrbsem7rii cm-1 i 0 a Hi-bonded ring forMed b'Y OH _grouPs of_four methano,.l_molecules- The AM. AM an 3h C 'd f 1 't il, h CI, CI 2, d CI 3, j 2, d AM., con _th the single ring d, t," th e.,.... h, hil th C2 AM4 ith the H -bonded ring formed by the OH groups on the C2 side of actylonitrde Ish mor.e stabile rt.han that of CM4-A-a in our erimental conditions (>130 K)-, These findings may provide valuable insight into t 0 micros va ion process of the interstellar olectiles and other biomolectiles in gas phase.