Citation: HU Shu, GAI Bao-Dong, CAO Zhan-Li, GUO Jing-Wei, WANG Fan. Experimental and Theoretical Evaluation of the Absorption Coefficients of Excimer Pairs of Sodium with Noble Gases and Alkanes[J]. Acta Physico-Chimica Sinica, ;2016, 32(4): 848-854. doi: 10.3866/PKU.WHXB201601151 shu

Experimental and Theoretical Evaluation of the Absorption Coefficients of Excimer Pairs of Sodium with Noble Gases and Alkanes

HU Shu ¹ ,
GAI Bao-Dong ¹ ,
CAO Zhan-Li ² ,
GUO Jing-Wei ^1,, ,
WANG Fan ²

1.
1. Key Laboratory of Chemical Lasers, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, Liaoning Province, P. R. China;
2.
2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610064, P. R. China

Corresponding author: GUO Jing-Wei,
Received Date: 28 October 2015
Available Online: 13 January 2016
Fund Project: 国家自然科学基金(11475177, 11304311, 61505210, 61405197)资助项目 (11475177, 11304311, 61505210, 61405197)

The excimer-pumped sodium laser (XPNaL) is very important for its application in sodium guide star. However, the absorption coefficients (for the pumping source) of traditional excimer pairs, such as Na-He and Na-Ar, are very small. In this work, four systems (Na-Ar, Na-Xe, Na-CH₄, and Na-C₂H₆) are investigated based on both fluorescence experiment and theoretical binding energies obtained from highly accurate quantum chemistry calculations to determine better excimer pairs. The experiment results show that the peak area ratio of fluorescence intensity curves for the excimer pairs of Na-Ar, Na-Xe, Na-CH₄, and Na-C₂H₆ was 1.0 : 6.4 : 4.9 : 10.4. Meanwhile, using the CCSD(T) approach and basis set extrapolation, binding energies for these four systems were calculated as 52.8, 124.5, 117.7, and 150.0 cm^-1, respectively. Therefore, predication by quantum chemistry calculation was consistent with experimental results. The Na-C₂H₆ system was found to be the most efficient system both experimentally and theoretically, and has the potential to be used in the development of a high power XPNaL. This work also demonstrates that the binding energy from highly accurate quantum chemistry calculations with a large basis set is a very good criterion for the selection of excimer pairs for the excimer-pumped alkali laser (XPAL).
- Excimer pair,
- XPAL,
- CCSD(T),
- Basis set,
- Fluorescence,
- Absorption coefficient
1. [1]
  (1) Max, C. E.; Olivier, S. S.; Friedman, H.W.; An, J.; Avicola, K.; Beeman, B. V.; Bissinger, H. D.; Brase, J. M.; Erbert, G. V.; Gavel, D. T.; Kanz, K.; Liu, M. C.; Macintosh, B.; Neeb, K. P.; Patience, J.;Waltjen, K. E. Science 1997, 277, 1649. doi: 10.1126/science.277.5332.1649
2. [2]
  (2) Rochester, S. M.; Otarola, A.; Boyer, C.; budker, D.; Ellerbroek, B.; Holzlöhner, R.;Wang, L. J. Opt. Soc. Am. B 2012, 29 (8), 2176. doi: 10.1364/JOSAB.29.002176
3. [3]
  (3) Lee, I.; Jalali, M.; Vanasse, N.; Prezkuta, Z.; Groff, K.; Roush, J.; Rogers, N.; Andrews, E.; Moule, G.; Tiemann, B.; Hankla, A. K.; Adkins, S. M.; d'Orgeville. C. Proc. SPIE Adaptive Optics Systems 2008, 7015, 70150N. doi: 10.1117/12.790534
4. [4]
  (4) Wang, P.; Xie, S.; Bo, Y.;Wang, B.; Zuo, J.;Wang, Z.; Shen, Y.; Zhang, F.;Wei, K.; Jin, K.; Xu, Y.; Xu, J.; Peng, Q.; Zhang, J.; Lei, W.; Cui, D.; Zhang, Y.; Xu, Z. Chin. Phys. B 2014, 23 (11), 094208. doi: 10.1088/1674-1056/23/9/094208
5. [5]
  (5) Cong, Z.; Zhang, X.;Wang, Q.; Chen, X.; Fan, S.; Liu, Z.; Zhang, H.; Tao, X.;Wang, J.; Zhao, H.; Li, S. Laser Phys. Lett. 2010, 7 (12), 862. doi: 10.1002/lapl.201010076
6. [6]
  (6) Duering, M.; Kolev, V.; Luther-Davies, B. Opt. Express 2009, 17 (2), 437. doi: 10.1364/OE.17.000437
7. [7]
  (7) Dhiflaoui, J.; Berriche, H.; Heaven, M. C. AIP Conf. Proc. 2011, 1370, 234. doi: 10.1063/1.3638107
8. [8]
  (8) Merritt, J. M.; Han, J.; Chang, T.; Heaven, M. C. Proc. SPIE 2009, 7196, 71960H. doi: 10.1117/12.815155
9. [9]
  (9) Readle, J. D.; Verdeyen, J. T.; Eden, J. G.; Davis, S. J.; Galbally-Kinney, K. L.; Rawlins, W. T.; Kessler, W. J. Opt. Lett. 2009, 34 (23), 3638. doi: 10.1364/OL.34.003638
10. [10]
  (10) Hewitt, J. D.; Houlahan, T. J., Jr.; Gallagher, J. E.; Carroll, D. L.; Palla, A. D.; Verdeyen, J. T.; Perram, G. P.; Eden, J. G. Appl. Phys. Lett. 2013, 102, 111104. doi: 10.1063/1.4796040
11. [11]
  (11) Palla, A. D.; Carroll, D. L.; Verdeyen, J. T.; Heaven, M. C. J. Phys. B: At. Mol. Opt. Phys. 2011, 44, 135402. doi: 10.1088/0953-4075/44/13/135402
12. [12]
  (12) Szudy, J.; Baylis, W. E. J. Quantum Spectrosc. Ra. 1975, 15 (7-8), 641. doi: 10.1016/0022-4073(75)90032-1
13. [13]
  (13) Markov, R. V.; Plekhanov, A. I.; Shalagin, A. M. Phys. Rev. Lett. 2002, 88 (21), 213601. doi: 10.1103/PhysRevLett.88.213601
14. [14]
  (14) Chung, H. K.; Shurgalin, M.; Babb, J. F. AIP Conf. Proc. 2002, 645, 211. doi: 10.1063/1.1525457
15. [15]
  (15) Alioua, K.; Bouledroua, M.; Allouche, A. R.; Aubert-Frecon, M. J. Phys. B: At. Mol. Opt. Phys. 2008, 41 (17), 175102. doi: 10.1088/0953-4075/41/17/175102
16. [16]
  (16) Atkins, P.; De Paula, J. Physical Chemistry, 8th ed.; Oxford University Press: Oxford, UK, 2006; p 634.
17. [17]
  (17) Martin, W. C.; Musgrove, A.; Kotochigova, S.; Sansonetti, J. E. 2011, Ground Levels and Ionization Energies for the Neutral Atoms (version 1.3). National Institute of Standards and Technology, Gaithersburg, MD. [Online] Available: http://physics.nist.gov/IonEnergy [Wednesday, 22-Apr-2015, 21 : 45 : 55 EDT].
18. [18]
  (18) Olney, T. N.; Cann, N. M.; Cooper, G.; Brion, C. E. Chem. Phys. 1997, 223 (1), 59. doi: 10.1016/S0301-0104(97)00145-6
19. [19]
  (19) Langhoff, P.W.; Karplus, M. J. Opt. Soc. Am. 1969, 59 (7), 863. doi: 10.1364/JOSA.59.000863
20. [20]
  (20) Dunning, T. H., Jr. J. Chem. Phys. 1989, 90 (2), 1007. doi: 10.1063/1.456153
21. [21]
  (21) Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1994, 100 (4), 2975. doi: 10.1063/1.466439
22. [22]
  (22) Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1993, 98 (2), 1358. doi: 10.1063/1.464303
23. [23]
  (23) Peterson, K. A.; Figgen, D.; Goll, E.; Stoll, H.; Dolg, M. J. Chem. Phys. 2003, 119 (21), 11113. doi: 10.1063/1.1622924
24. [24]
  (24) Peterson, K. A.; Yousaf, K. E. J. Chem. Phys. 2010, 133 (17), 174116. doi: 10.1063/1.3503659
25. [25]
  (25) Werner, H. J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M. Wires Comput. Mol. Sci. 2012, 2, 242; MOLPRO, version 2012.1, http://www.molpro.net. doi: 10.1002/wcms.82
26. [26]
  (26) Liang, Y. N.;Wang, F. Acta Phys. -Chim. Sin. 2014, 30 (8), 1447. [梁艳妮, 王繁. 物理化学学报, 2014, 30 (8), 1447.] doi: 10.3866/PKU.WHXB201405302
27. [27]
  (27) Cao, Z. L.;Wang, Z. F.; Yang, M. L.;Wang, F. Acta Phys. -Chim. Sin. 2014, 30 (3), 431. [曹战利, 王治钒, 杨明理, 王繁. 物理化学学报, 2014, 30 (3), 431.] doi: 10.3866/PKU.WHXB201401023
28. [28]
  (28) Sverdlov, L. M.; Kovner, M. A.; Krainov, E. P. Vibrational Spectra of Polyatomic Molecule;Wiley: New York, 1974.
29. [29]
  (29) Benran, K. Bond Lengths and Angles in Gas-Phase Molecules, 3rd ed. II; Maruzen Company, LTD.: Tokyo, Japan, 1984; p 649.
30. [30]
  (30) Baumann, P.; Zimmermann, D.; Brühl, R. J. Mol. Spec. 1992, 155 (2), 277. doi: 10.1016/0022-2852(92)90517-R
31. [31]
  (31) Schwarzhans, D.; Zimmermann, D. Eur. Phys. J. D 2003, 22 (2), 193. doi: 10.1140/epjd/e2002-00242-8
32. [32]
  (32) Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19 (4), 553. doi: 10.1080/00268977000101561
33. [33]
  (33) Pahl, E.; Figgen, D.; Thierfelder, C.; Peterson, K. A.; Calvo, F.; Schwerdtfeger, P. J. Chem. Phys. 2010, 132 (11), 114301. doi: 10.1063/1.3354976
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