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Structural characterization of the NO(X2 Π)-N2O complex with mid-infrared laser absorption spectroscopy and quantum chemical calculations

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成果类型:
期刊论文
作者:
Liu, Zhuang;Li, Xiang;Ge, Murong;Zheng, Rui;Duan, Chuanxi*段传喜
通讯作者:
Duan, Chuanxi(段传喜
作者机构:
[Duan, Chuanxi; Ge, Murong; Liu, Zhuang; Li, Xiang] Cent China Normal Univ, Coll Phys Sci & Technol, Wuhan 430079, Peoples R China.
[Zheng, Rui] North China Univ Water Resources & Elect Power, Sch Phys & Elect, Zhengzhou 450011, Peoples R China.
通讯机构:
[Duan, Chuanxi] C
Cent China Normal Univ, Coll Phys Sci & Technol, Wuhan 430079, Peoples R China.
语种:
英文
关键词:
Ground state;Negative ions;Optical parametric oscillators;Quantum cascade lasers;Quantum chemistry;Supersonic aerodynamics;Electronic orbital angular momentum;Geometry optimization;Midinfrared lasers;Planar configurations;Quantum chemical calculations;Rovibrational spectrum;Structural characterization;Supersonic expansions;Absorption spectroscopy
期刊:
JOURNAL OF CHEMICAL PHYSICS
ISSN:
0021-9606
年:
2020
卷:
152
期:
15
页码:
154303
基金类别:
This work was supported by the National Natural Science Foundation of China (Grant Nos. 11574107 and 11304095) and the Fundamental Research Funds for the Central Universities (Grant Nos. CCNU19TS072 and 2019CXZZ098). The authors thank Dr. Shenghai Wu and Dr. Jinjun Liu for their kind help on the SpecView program.
机构署名:
本校为第一且通讯机构
院系归属:
物理科学与技术学院
摘要:
Both positive and negative ions of N3O2 have been observed in various experiments. The neutral N3O2 was predicted to exist either as a weakly bound NO·N2O complex or a covalent molecule. The rovibrational spectrum of the NO(X2Π)-N2O complex has been measured for the first time in the 5.3 μm region using distributed quantum cascade lasers to probe the direct absorption in a slit-jet supersonic expansion. The observed spectrum is analyzed with a semi-rigid asymmetric rotor Hamiltonian for a planar open-shell complex, giving a bent geometry wit...

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