甲基丁烯醇的光电离实验与理论研究(英文)-豆柴文库

您所在位置：网站首页 / 甲基丁烯醇的光电离实验与理论研究(英文).docx / 文档详情

在线预览结束，喜欢就下载吧，查找使用更方便

5 金币

下载文档

/ 2

下载提示

如果您无法下载资料，请参考说明：

1、部分资料下载需要金币，请确保您的账户上有足够的金币

2、已购买过的文档，再次下载不重复扣费

3、资料包下载后请先用软件解压，在使用对应软件打开

文本预览

甲基丁烯醇的光电离实验与理论研究(英文)
Title:ExperimentalandTheoreticalStudyonthePhotoionizationofMethyldienenol
Abstract:
Thepresentstudyinvestigatesthephotoionizationofmethyldienenolthroughacombinationofexperimentalandtheoreticalapproaches.Theexperimentalsetupinvolvestheuseofafemtosecondlasertoinduceionizationinamethyldienenolsample,withthesubsequentdetectionoftheresultingions.Concurrently,theoreticalcalculationsareperformedtogaininsightsintotheunderlyingmoleculardynamicsandelectronicstructureofmethyldienenol.Theresultsobtainedfrombothexperimentalandtheoreticalinvestigationscontributetoadeeperunderstandingofthephotoionizationprocessanditsimplicationsinvariousapplications.
1.Introduction:
Thephotoionizationprocess,whichinvolvestheremovalofanelectronfromamoleculebytheabsorptionofaphoton,hasbeenextensivelystudiedduetoitsrelevanceindiversefieldssuchasatmosphericchemistry,astrophysics,andphotochemicalreactions.Methyldienenol,inparticular,offersauniqueopportunityforinvestigationduetoitsinterestingmolecularpropertiesandpotentialapplications.Thispaperaimstopresentacomprehensiveassessmentofthephotoionizationofmethyldienenol,coveringbothexperimentalandtheoreticalaspects.
2.ExperimentalMethod:
Theexperimentalsetupconsistedofafemtosecondlasersystemcapableofprovidinghigh-intensitypulses.Thelaserbeamwasdirectedontoasampleofmethyldienenol,whichwasintroducedintoavacuumchamber.Theionsresultingfromthephotoionizationprocesswerethencollectedusingsuitabledetectors.Theintensitydependence,aswellasthewavelengthdependence,oftheionizationprocesswasinvestigatedtoobtainacomprehensiveunderstandingofthephotoionizationdynamics.
3.TheoreticalCalculations:
Tocomplementtheexperimentalfindings,theoreticalcalculationsbasedonquantummechanicalapproacheswereperformed.Theelectronicstructureandpotentialenergysurfacesweredeterminedusingdensityfunctionaltheory(DFT)methods.Time-dependentdensityfunctionaltheory(TD-DFT)wasemployedtocalculatetheabsorptionspectraandelectronictransitionsresponsibleforthephotoionizationprocess.The