{"title":"低能电子诱导乙酰丙酮解离。","authors":"Surbhi Sinha, Vaibhav S Prabhudesai","doi":"10.1021/acs.jpca.4c06528","DOIUrl":null,"url":null,"abstract":"<p><p>We report a detailed investigation of the dissociative electron attachment (DEA) to acetylacetone, an important molecule for industrial and atmospheric chemistry. We find that the DEA process leads to several dissociation channels, leading to the formation of <math><msup><mrow><mi>H</mi></mrow><mrow><mo>-</mo></mrow></msup><mo>,</mo><msubsup><mrow><mi>CH</mi></mrow><mrow><mn>3</mn></mrow><mrow><mo>-</mo></mrow></msubsup><mo>,</mo><msup><mrow><mi>O</mi></mrow><mrow><mo>-</mo></mrow></msup><mo>,</mo><msup><mrow><mi>OH</mi></mrow><mrow><mo>-</mo></mrow></msup></math> and other anions with <i>m</i>/<i>z</i> 39, 41, 43, 57, 83, and 85, with the H<sup>-</sup> and OH<sup>-</sup> being the most dominant channels. The absolute cross sections for both of these channels peak around 8.8 and 9 eV with cross-section values of 3.1 × 10<sup>-18</sup> and 3.7 × 10<sup>-19</sup> cm<sup>2</sup>, respectively. We also report the DEA dynamics for these channels based on the Velocity Slice Images that were obtained. We also compare the dissociation pattern from DEA with that from photodissociation reported for 248 and 266 nm wavelengths and propose the possibility of the neutral excited state's role as the underlying parent state for the negative ion resonance.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":"1549-1557"},"PeriodicalIF":2.8000,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Low Energy Electron Induced Dissociation of Acetylacetone.\",\"authors\":\"Surbhi Sinha, Vaibhav S Prabhudesai\",\"doi\":\"10.1021/acs.jpca.4c06528\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>We report a detailed investigation of the dissociative electron attachment (DEA) to acetylacetone, an important molecule for industrial and atmospheric chemistry. We find that the DEA process leads to several dissociation channels, leading to the formation of <math><msup><mrow><mi>H</mi></mrow><mrow><mo>-</mo></mrow></msup><mo>,</mo><msubsup><mrow><mi>CH</mi></mrow><mrow><mn>3</mn></mrow><mrow><mo>-</mo></mrow></msubsup><mo>,</mo><msup><mrow><mi>O</mi></mrow><mrow><mo>-</mo></mrow></msup><mo>,</mo><msup><mrow><mi>OH</mi></mrow><mrow><mo>-</mo></mrow></msup></math> and other anions with <i>m</i>/<i>z</i> 39, 41, 43, 57, 83, and 85, with the H<sup>-</sup> and OH<sup>-</sup> being the most dominant channels. The absolute cross sections for both of these channels peak around 8.8 and 9 eV with cross-section values of 3.1 × 10<sup>-18</sup> and 3.7 × 10<sup>-19</sup> cm<sup>2</sup>, respectively. We also report the DEA dynamics for these channels based on the Velocity Slice Images that were obtained. We also compare the dissociation pattern from DEA with that from photodissociation reported for 248 and 266 nm wavelengths and propose the possibility of the neutral excited state's role as the underlying parent state for the negative ion resonance.</p>\",\"PeriodicalId\":59,\"journal\":{\"name\":\"The Journal of Physical Chemistry A\",\"volume\":\" \",\"pages\":\"1549-1557\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2025-02-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The Journal of Physical Chemistry A\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.jpca.4c06528\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/2/4 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry A","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpca.4c06528","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/4 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
我们报告了对乙酰丙酮(一种重要的工业和大气化学分子)解离电子附着(DEA)的详细研究。我们发现 DEA 过程会导致多个解离通道,形成 H-、CH3-、O-、OH- 和其他 m/z 分别为 39、41、43、57、83 和 85 的阴离子,其中 H- 和 OH- 是最主要的通道。这两个通道的绝对截面在 8.8 和 9 eV 左右达到峰值,截面值分别为 3.1 × 10-18 和 3.7 × 10-19 cm2。我们还根据获得的速度切片图像报告了这些通道的 DEA 动态。我们还将 DEA 的解离模式与 248 和 266 纳米波长的光解离模式进行了比较,并提出了中性激发态作为负离子共振的基本母态的可能性。
Low Energy Electron Induced Dissociation of Acetylacetone.
We report a detailed investigation of the dissociative electron attachment (DEA) to acetylacetone, an important molecule for industrial and atmospheric chemistry. We find that the DEA process leads to several dissociation channels, leading to the formation of and other anions with m/z 39, 41, 43, 57, 83, and 85, with the H- and OH- being the most dominant channels. The absolute cross sections for both of these channels peak around 8.8 and 9 eV with cross-section values of 3.1 × 10-18 and 3.7 × 10-19 cm2, respectively. We also report the DEA dynamics for these channels based on the Velocity Slice Images that were obtained. We also compare the dissociation pattern from DEA with that from photodissociation reported for 248 and 266 nm wavelengths and propose the possibility of the neutral excited state's role as the underlying parent state for the negative ion resonance.
期刊介绍:
The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.