Rotational analysis of the perpendicular vibrational bands of 32SF6-Ar and 32SF6-34SF6 complexes at 10.6 μm

YUAN Hongrui; LIU Yun; LI Xiang; DUAN Chuanxi

doi:10.7498/aps.74.20250726

Abstract

Sulfur hexafluoride (SF₆) is widely used in the electrical and electronic industries. It is also an important green-house gas. The study of spectra and structures of weakly bound complexes containing SF₆ is helpful to gain a deep understanding of the intermolecular interactions between SF₆ and other atoms or molecules. The rotationally resolved spectrum of the perpendicular vibrational band of ³²SF₆-Ar in the ³²SF₆ v₃ band region has been reported previously but the rotational analysis was not completed. In this work, this vibrational band of ³²SF₆-Ar is re-investigated. The jet-cooled rovibrational spectra of SF₆/Ar/He gas mixtures are measured by a continuous-wave distributed feed-back quantum cascade laser (DFB-QCL) at 10.6 μm with a segmented- rapid-scan data acquisition scheme. The gas mixture (SF₆∶Ar∶He = 0.12∶1∶100) is expanded into a cylinder vacuum chamber through a 0.8 mm pin-hole nozzle. The probe laser is reflected about 90 times by a pair of astigmatic mirrors inside the chamber. The observed spectrum is analyzed by the standard symmetric-top Hamiltonian with the program PGOPHER. When the resonance interaction between the l = $ \pm 1 $ levels in the double-degenerate excited vibrational state of ³²SF₆-Ar is considered, which was ignored in previous studies, a successful rotational analysis of the perpendicular vibrational band is conducted. The band-origin of the perpendicular band is determined to be v₀ = 947.45300(58) cm^–1 and the resonance interaction parameter is q = –0.002325(70) cm^–1. A set of absorption lines close to the Q branch of the ³²SF₆ v₃ band is tentatively assigned to the perpendicular vibrational band of ³²SF₆-³⁴SF₆ complex. This band is heavily overlapped by the monomer lines so that very few lines can be assigned. The band-origin of this band is estimated to be 948.1181(12) cm^–1. These results will be useful for developing highly accurate intermolecular potential energy surfaces for SF₆-Ar complex and SF₆ dimer in the future.

Keywords:

Authors and contacts

Corresponding author: DUAN Chuanxi, duanchx@ccnu.edu.cn

Funds: Project supported by the Young Talents Research Project of China National Nuclear Corporation, the National Key Laboratory of Particle Transport and Separation Technology (Grant No. KGKF-2024-4) and the Fundamental Research Funds for the Central Universities of China (Grant No. CCNU25JC021).

FullText HTML

References

[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]
[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]

Cited By

DownLoad: Full-Size Img PowerPoint

	参数	Ref. [15]	This work
基态	A"	0.0874^b	0.0874^b
基态	B''	0.022765(45)	0.022739(39)
平行谱带	v₀	946.97950(48)	946.97987(46)
	A'	0.086804(85)	0.08726(11)
	B'	0.020733(36)	0.020739(31)
垂直谱带	v₀	947.392^c	947.45300(58)
	A'	—	0.08844(12)
	B'	—	0.023750(57)
	ξ	—	0.6974(19)
	q	—	–0.002325(70)
注: ^a 括号中的数字为标准偏差, 与参数值的最后两位对齐; ^b 固定于从头计算得到的值; ^c ^RQ(J, 0)支的峰值位置.

DownLoad: CSV

J'	K'	J''	K''	Obs. freq.	Cal. freq.	v_obs–v_cal
5	0	6	0	946.6470	946.6470	0
4	0	5	0	946.7109	946.7125	–0.0016
3	0	4	0	946.7724	946.7740	–0.0016
2	0	3	0	946.8324	946.8314	0.0010
2	1	3	1	946.8326	946.8333	–0.0007
2	2	3	2	946.8393	946.8389	0.0005
1	0	2	0	946.8879	946.8849	0.0030
1	1	2	1	946.8882	946.8868	0.0015
3	3	3	3	946.9726	946.9726	0
2	2	2	2	946.9785	946.9753	0.0032
1	0	0	0	947.0217	947.0213	0.0004
2	0	1	0	947.0586	947.0588	–0.0003
2	1	1	1	947.0598	947.0607	–0.0009
3	0	2	0	947.0914	947.0923	–0.0009
3	1	2	1	947.0932	947.0942	–0.0010
4	0	3	0	947.1204	947.1218	–0.0014
4	1	3	1	947.1220	947.1236	–0.0017
4	2	3	2	947.1283	947.1292	–0.0009
4	3	3	3	947.1364	947.1385	–0.0021
5	0	4	0	947.1476	947.1473	0.0003
5	1	4	1	947.1479	947.1491	–0.0012
5	2	4	2	947.1557	947.1547	0.0010
6	0	5	0	947.1709	947.1687	0.0021
6	2	5	2	947.1768	947.1762	0.0006
7	0	6	0	947.1846	947.1862	–0.0016
7	2	6	2	947.1949	947.1936	0.0012
8	0	7	0	947.2007	947.1997	0.0010
3	1	4	2	947.2095	947.2096	–0.0001
3	1	4	0	947.2375	947.2385	–0.0010
2	1	3	2	947.2528	947.2520	0.0008
2	1	3	0	947.2719	947.2710	0.0010
1	1	2	2	947.2935	947.2935	0
1	1	2	0	947.3059	947.3077	–0.0019
3	1	3	0	947.3920	947.3925	–0.0005
4	0	4	1	947.3920	947.3917	0.0003
3	3	3	2	947.4224	947.4216	0.0007
4	3	4	2	947.4366	947.4367	–0.0001
1	1	0	0	947.4441	947.4442	0
2	1	1	0	947.5001	947.4983	0.0018
2	2	1	1	947.5002	947.4997	0.0005
3	3	2	2	947.5575	947.5581	–0.0006
3	1	2	0	947.5578	947.5569	0.0009
4	4	3	3	947.6189	947.6186	0.0003
4	1	3	0	947.6197	947.6197	0
5	4	4	3	947.6821	947.6825	–0.0004
5	3	4	2	947.6843	947.6846	–0.0004

DownLoad: CSV

Parameter	(³²SF₆)₂^b	³²SF₆-³⁴SF₆
A''	0.04554(6)	0.04554^c
B''	0.0083811(26)	0.0083811^c
$ {\nu }_{0}^{\perp } $	956.09502(37)	948.1181(12)
A'	0.04551(fixed)	0.04551^c
B'	0.0083803(28)	0.0083803^c
ξ (unitless)	0.66796(70)	0.66796^c
注: ^a 括号中的数字为标准偏差, 与参数值的最后两位对齐; ^b 文献[9]; ^c 固定于(³²SF₆)₂对应参数的值.

DownLoad: CSV

J'	K'	J''	K''	Obs. freq.	Cal. freq.	v_obs-v_cal
3	2	4	3	947.9943	947.9876	0.0068
2	2	3	3	948.0101	948.0043	0.0058
4	1	5	0	948.0178	948.0110	0.0068
12	3	12	4	948.0422	948.0412	0.0010
11	2	11	3	948.0574	948.0545	0.0029
11	1	11	2	948.0665	948.0678	–0.0013
11	0	11	1	948.0803	948.0812	–0.0010
11	2	11	1	948.1048	948.1082	–0.0034
11	3	11	2	948.1132	948.1218	–0.0086
12	4	12	3	948.1283	948.1354	–0.0071
5	1	4	0	948.1766	948.1786	–0.0020

DownLoad: CSV

map

[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]
[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]

[1]	Fang De-Yin, Fan Xu-Yang, Wei An, Wang Lu-Xia. Coherent excitation energy transfer processes in two-dimensional para-sexiphenyl molecular clusters. Acta Physica Sinica, 2023, 72(19): 197301. doi: 10.7498/aps.72.20230476
[2]	Li Xiang, Liu Yun, Zhu Tian-Xin, Duan Chuan-Xi. New rovibrational subbands of Ar-D₂O complex in the D₂O bending mode region. Acta Physica Sinica, 2023, 72(1): 013401. doi: 10.7498/aps.72.20221728
[3]	Yuan Hong-Rui, Liu Tao, Zhu Tian-Xin, Liu Yun, Li Xiang, Chen Yang, Duan Chuan-Xi. High-resolution jet-cooled laser absorption spectra of SF₆ at 10.6 μm. Acta Physica Sinica, 2023, 72(6): 063301. doi: 10.7498/aps.72.20222285
[4]	Zhao Hai-Sheng, Xu Zhao-Hui, Gao Jing-Fan, Xu Zheng-Wen, Wu Jian, Feng Jie, Xu Bin, Xue Kun, Li Hui, Ma Zheng-Zheng. Early time effects produced by neutral gas ionospheric chemical release. Acta Physica Sinica, 2018, 67(1): 019401. doi: 10.7498/aps.67.20171620
[5]	Zhao Hai-Sheng, Xu Zheng-Wen, Wu Zhen-Sen, Feng Jie, Wu Jian, Xu Bin, Xu Tong, Hu Yan-Li. A three-dimensional refined modeling for the effects of SF6 release in ionosphere. Acta Physica Sinica, 2016, 65(20): 209401. doi: 10.7498/aps.65.209401
[6]	Zhang Xiu-Rong, Wu Li-Qing, Rao Qian. Theoretical study of electronic structure and optical properties of OsnN0,(n=1 6) clusters. Acta Physica Sinica, 2011, 60(8): 083601. doi: 10.7498/aps.60.083601
[7]	Wu Yang, Duan Hai-Ming. Study of structure evolution of (C60)N clusters usingLennard-Jones atom-atom potential. Acta Physica Sinica, 2011, 60(7): 076102. doi: 10.7498/aps.60.076102
[8]	Peng Zhi-Min, Ding Yan-Jun, Zhai Xiao-Dong. Measurements of rotational and vibrational temperatures based on flame emission spectroscopy. Acta Physica Sinica, 2011, 60(10): 104702. doi: 10.7498/aps.60.104702
[9]	Fan Qun-Chao, Feng Hao, Sun Wei-Guo. Studies on the full vibrational spectra and dissociation energies of some diatomic ions. Acta Physica Sinica, 2010, 59(1): 203-209. doi: 10.7498/aps.59.203
[10]	Miao Jing-Wei, Wang Pei-Lu, Zhu Zhou-Sen, Yuan Xue-Dong, Wang Hu, Yang Chao-Wen, Shi Mian-Gong, Miao Lei, Sun Wei-Li, Zhang Jing, Liao Xue-Hua. Photoluminescence spectrum of monocrystalline Si implanted by nitrogen cluster ions. Acta Physica Sinica, 2008, 57(4): 2174-2178. doi: 10.7498/aps.57.2174
[11]	Shi De-Heng, Sun Jin-Feng, Zhu Zun-Lüe, Ma Heng, Yang Xiang-Dong. Investigation on vibrational levels, inertial rotation and centrifugal distortion constants of 7Li2(X1Σ+g). Acta Physica Sinica, 2008, 57(1): 165-171. doi: 10.7498/aps.57.165
[12]	Shi De-Heng, Sun Jin-Feng, Liu Yu-Fang, Ma Heng, Zhu Zun-Lue, Yang Xiang-Dong. Investigation of analytic potential energy function, vibrational levels and inertial rotation constants for the 23Πu state of spin-aligned dimer 7Li2. Acta Physica Sinica, 2007, 56(8): 4454-4460. doi: 10.7498/aps.56.4454
[13]	Chen Xiao-Hong, Gao Tao, Zhu Zheng-He, Luo Shun-Zhong. Study on the structure and stability of the Al2O3Hx(x=1—3) molecules by density function theory. Acta Physica Sinica, 2007, 56(1): 178-185. doi: 10.7498/aps.56.178
[14]	Fang Fang, Jiang Gang, Wang Hong-Yan. Structures and properties of small bimetallic PdnPbm(n+m≤5) clusters. Acta Physica Sinica, 2006, 55(5): 2241-2248. doi: 10.7498/aps.55.2241
[15]	Ye Zi-Yan, Zhang Qing-Yu. ＭｏｌｅｃｕｌａｒｄｙｎａｍｉｃｓｓｉｍｕｌａｔｉｏｎｓｏｆｌｏｗｅｎｅｒｇｙＰｔｃｌｕｓｔｅｒｄｅｐｏｓｉｔｉｏｎ. Acta Physica Sinica, 2002, 51(12): 2798-2803. doi: 10.7498/aps.51.2798
[16]	WANG PEI-LU, LIU ZHONG-YANG, ZHENG SI-XIAO, LIAO XIAO-DONG, YANG CHAO-WEN, TANG A-YOU, SHI MIAN-GONG, YANG BEI-FANG, MIAO JING-WEI. STUDIES ON THE FEATURE OF Si(111) SURFACE IMPLANTED BY NITROGEN ATOM,MOLECULE AND CLUSTER IONS. Acta Physica Sinica, 2001, 50(5): 860-864. doi: 10.7498/aps.50.860
[17]	YAN HONG, CHANG ZHE, GUO HAN-YING. q-ROTATING OSCILLATOR MODEL (I)——q-Oscillator and Vibrational Spectra of Diatomic Molecules. Acta Physica Sinica, 1991, 40(9): 1377-1387. doi: 10.7498/aps.40.1377
[18]	. . Acta Physica Sinica, 1965, 21(8): 1570-1572. doi: 10.7498/aps.21.1570
[19]	A. T. Kiang. Vibrational-Rotational Spectrum and Potential Function of a Linenr Asymmetrical Triatomlc Molecule. Acta Physica Sinica, 1944, 5(1): 49-63. doi: 10.7498/aps.5.49
[20]	. . Acta Physica Sinica, 1933, 1(1): 1-37. doi: 10.7498/aps.1.1

Catalog

Vol. 74, Issue 17 - 2025-09-05

Metrics

Abstract views: 1493
PDF Downloads: 25
Cited By: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

Search

Article

留言板

Abstract

Authors and contacts

Corresponding author: DUAN Chuanxi, duanchx@ccnu.edu.cn

FullText HTML

References

Cited By

Catalog

Metrics

Authors

Referees

About Journal

About

Search

Article

留言板

Abstract

Authors and contacts

Corresponding author: DUAN Chuanxi, duanchx@ccnu.edu.cn

FullText HTML

References

Cited By

Catalog

Metrics

Publishing process

Authors

Referees

About Journal

About