潜在的大气相关的甘氨二硫酸盐集群的稳定性和结构
Annapoorani Hariharan1, Conor J Bready2, Jack G Ajello1
1Department of Chemistry, Stony Brook University, 100 Nicolls Rd., Stony Brook, New York 11794, United States.
The journal of physical chemistry. A
|May 16, 2024
概括
像甘氨酸这样的氨基酸可以通过稳定大气集群来增强新粒子形成 (NPF). 实验和计算研究表明,它们可以取代氨,影响粒子组成和气候影响.
科学领域:
- 大气化学 大气化学
- 气溶科学 气溶科学
- 化学物理 化学物理
背景情况:
- 新粒子形成 (NPF) 对气候至关重要,由大气中的酸和驱动.
- 基通过盐桥稳定集群,增强NPF.
- 氨基酸被假设通过多个质子化位点来增强NPF,但缺乏实验验证.
研究的目的:
- 通过实验验证氨基酸增强NPF的预测.
- 研究由甘氨酸,硫酸和氨酸形成的集群的结构和稳定性.
- 将实验数据与用于集群识别的计算预测进行比较.
主要方法:
- 质谱学和红外光谱学被用来研究阴离子星团.
- 碰撞诱导的解离被用来评估集群稳定性.
- 量子化学计算预测了结合的自由能量和低能量结构.
- 在实验数据和计算数据之间比较了振动光谱.
主要成果:
- 集群在激活时更有可能失去氨或硫酸而不是甘氨.
- 计算预测表明,与甘氨和硫酸相比,氨的自由结合能量较低.
- 实验和计算的振动光谱比较是具有挑战性的,因为光谱的复杂性和温度依赖的结构.
- 氨基酸显示出通过取代氨气来丰富新颗粒的潜力.
- 碳酸组表现出偏好的相互作用,这表明早期有机/无机相分离.
结论:
- 甘氨酸可以稳定大气集群,可能增强新颗粒的形成.
- 氨基酸可能在大气粒子组成和气候中发挥重要作用.
- 对大气集群的计算预测的实验验证仍然具有挑战性.
- 有证据表明,氨基酸有助于新生颗粒中的有机/无机相分离.
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