The microwave spectra and molecular structures of (E)-1,3,3,3-tetrafluoropropene and its complex with the argon atom

The microwave spectra and molecular structures of (E)-1,3,3,3-tetrafluoropropene and its complex with the argon atom
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(E)-1,3,3,3-四氟丙烯及其氩原子配合物的微波谱和分子结构

DOI:
10.1016/j.jms.2020.111379
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发表时间:
2020
影响因子:
1.4
通讯作者:
Gomez, Alexandra
Gomez, Alexandra
中科院分区:
物理与天体物理4区
文献类型:
--
作者:
Marshall, Mark D.;Leung, Helen O.;Febles, Olivia;Gomez, Alexandra

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(E)-1,3,3,3-异丙烯的四种同位素体的微波光谱,其已被提议作为具有低全球变暖潜势的制冷剂替代物,并且还发现用作发泡剂,此外,还研究了氩和(E)-1,3,3-异丙烯之间形成的络合物的四种同位素体的光谱,利用宽带啁啾脉冲和Balle-Flygare腔傅里叶变换微波光谱技术,在5.3- 21.1GHz范围内得到了3-异丙基丙烯。氩原子被确定为占据异丙烯的对称平面之外的位置,在该位置处它可以与氟甲基的面内氟原子和碳原子C1最强烈地相互作用。这与先前研究的氩-2,3,3,3-异丙烯络合物形成对比,其中氩原子与平面外氟原子和连接到烯碳的氟原子相互作用最强烈。
The microwave spectra of four isotopologues of (E)-1,3,3,3-tetrafluoropropene, which has been proposed as a refrigerant alternative with a low global warming potential and also finds use as a foaming agent, and additionally the spectra of four isotopologues of the complex formed between argon and (E)-1,3,3,3-tetrafluoropropene are obtained in the 5.3–21.1 GHz region using a combination of broadband chirped pulse and Balle-Flygare cavity Fourier transform microwave spectroscopy. The argon atom is determined to occupy a position out of the symmetry plane of the tetrafluoropropene where it can interact most strongly with the in-plane fluorine atom of the fluoromethyl group and carbon atom C1. This contrasts to the previously studied argon-2,3,3,3-tetrafluoropropene complex where the argon atom interacts most strongly with an out-of-plane fluorine atom and that attached to the olefinic carbon.
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