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The vibration/rotation modes and the corresponding infrared spectra of deuterium molecules with the D2d/D2h structures are calculated using the coupled cluster singles and doubles method with the cc-PVTZ basis sets within the framework of the density function theory. The infrared (IR) absorption spectrum of liquid deuterium is experimentally measured in a home-made cryogenic target system by a home-made low-temperature infrared spectroscope. The experimental results show that the strongest IR absorption peak of liquid deuterium is related to the Q1(0)+S0(0) mode, which is in good agreement with the theoretical calculation.
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Keywords:
- cryogenic target system /
- liquid deuterium /
- infrared spectrum /
- density functional theory
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[2] Kranendonk J V 1983 Solid Hydrogen: Theory of the Properties of Solid H2 HD, D2 (New York: Plenum Press)
[3] Sokol P E, Simmons R O 1985 Phys. Rev. B 31 620
[4] Liu J P, Bi P, Lei H L, Li J, Wei J J 2013 Acta Phys. Sin. 62 163301 (in Chinese) [刘江平, 毕鹏, 雷海乐, 黎军, 韦建军 2013 62 163301]
[5] Warren J A, Smith G R, Guillory W A 1980 J. Chem. Phys. 72 4901
[6] Gillard P G, Prasad R D G 1984 J. Chem. Phys. 81 3458
[7] Chan M C, Xu L W, Gabrys C M 1991 J. Chem. Phys. 95 9404
[8] Miller R G J, Stace B C (Translated by Yu Q L) 1985 Laboratory Methods in Infrared Spectroscopy (2nd ed) (Beijing: Mechanical Industry Press) p67 (in Chinese) [密勒 R G J, 斯特斯 B C 著 (于铨林译) 1985 红外光谱学的实验方法 (第二版) (北京: 机械工业出版社) 第67页]
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[10] Bi P, Lei H L, Liu Y Q, Li J, Yang X D 2012 Acta Phys. Sin. 61 062802 (in Chinese) [毕鹏, 雷海乐, 刘元琼, 黎军, 杨向东 2012 61 062802]
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[13] Cao H H, Chen Q 2004 Chin. Phys. B 13 2121
[14] Wu W D, Zhu Z H, Tang Y J 2002 Acta Phys. Sin. 51 1221 (in Chinese) [吴卫东, 朱正和, 唐永建 2002 51 1221]
[15] Xu Y Z 1988 Theory of Molecule Spectroscopy (Beijing: Tsinghua University Press) p174 (in Chinese) [徐亦庄 1988 分子光谱理论 (北京: 清华大学出版社) 第174页]
[16] Li Y J, Xie K, Xu J, Li X D, Han Y 2010 Acta Phys. Sin. 59 1082 (in Chinese) [李宇杰, 谢凯,许静, 李效东, 韩喻 2010 59 1082]
[17] Lei H L, Li J, Tang Y J, Shi H L, Liu Y Q 2009 High Power Laser Particle Beams 21 53 (in Chinese) [雷海乐, 黎 军, 唐永建, 师洪丽, 刘元琼 2009 强激光与粒子束 21 53]
[18] Chen G B, Bao R, Huang Y H 2006 Cryogenic Engineering Technical Data (Vol.2) (Beijing: Chemical Industry Press) p122 (in Chinese) [陈国邦, 包 锐, 黄永华 2006 低温工程技术数据 (第二卷) (北京: 化学工业出版社) 第122页]
[19] Liu Y Q, Zhao X S, Lei H L, Xie D, Gao D Z 2010 High Power Laser Particle Beams 22 2880 (in Chinese) [刘元琼, 赵学森, 雷海乐, 谢端, 高党忠 2010 强激光与粒子 束22 2880]
[20] Wang K, Lin W, Liu Y Q, Xie D, Li J, Ma K Q, Tang Y J, Lei H L 2012 Acta Phys. Sin. 61 195204 (in Chinese) [王凯, 林伟, 刘元琼, 谢端, 黎军, 马坤全, 唐永建, 雷海乐 2012 61 195204]
[21] Lei H L, Li J, Tang Y J, Liu Y Q 2009 Rev. Sci. Instrum. 80 03310
[22] Souers P C 1985 Hydrogen Properties for Fusion Energy (California: University of California Press) pp324–335
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[1] Harris A B 1970 Phys. Rev. B 1 1881
[2] Kranendonk J V 1983 Solid Hydrogen: Theory of the Properties of Solid H2 HD, D2 (New York: Plenum Press)
[3] Sokol P E, Simmons R O 1985 Phys. Rev. B 31 620
[4] Liu J P, Bi P, Lei H L, Li J, Wei J J 2013 Acta Phys. Sin. 62 163301 (in Chinese) [刘江平, 毕鹏, 雷海乐, 黎军, 韦建军 2013 62 163301]
[5] Warren J A, Smith G R, Guillory W A 1980 J. Chem. Phys. 72 4901
[6] Gillard P G, Prasad R D G 1984 J. Chem. Phys. 81 3458
[7] Chan M C, Xu L W, Gabrys C M 1991 J. Chem. Phys. 95 9404
[8] Miller R G J, Stace B C (Translated by Yu Q L) 1985 Laboratory Methods in Infrared Spectroscopy (2nd ed) (Beijing: Mechanical Industry Press) p67 (in Chinese) [密勒 R G J, 斯特斯 B C 著 (于铨林译) 1985 红外光谱学的实验方法 (第二版) (北京: 机械工业出版社) 第67页]
[9] Bi P, Liu Y Q, Tang Y J, Yang X D, Lei H L 2009 Acta Phys. Sin. 59 7351 (in Chinese) [毕鹏, 刘元琼, 唐永建, 杨向东, 雷海乐 2009 59 7351]
[10] Bi P, Lei H L, Liu Y Q, Li J, Yang X D 2012 Acta Phys. Sin. 61 062802 (in Chinese) [毕鹏, 雷海乐, 刘元琼, 黎军, 杨向东 2012 61 062802]
[11] Bi P, Xie D, Lin W, Wang K, Liu J P, Tang Y J, Yang X D, Lei H L 2013 Chin. Phys. B 22 034401
[12] Ching Y L, Gilbert A T B, Walker M A 2011 Astrophys. J. 736 91
[13] Cao H H, Chen Q 2004 Chin. Phys. B 13 2121
[14] Wu W D, Zhu Z H, Tang Y J 2002 Acta Phys. Sin. 51 1221 (in Chinese) [吴卫东, 朱正和, 唐永建 2002 51 1221]
[15] Xu Y Z 1988 Theory of Molecule Spectroscopy (Beijing: Tsinghua University Press) p174 (in Chinese) [徐亦庄 1988 分子光谱理论 (北京: 清华大学出版社) 第174页]
[16] Li Y J, Xie K, Xu J, Li X D, Han Y 2010 Acta Phys. Sin. 59 1082 (in Chinese) [李宇杰, 谢凯,许静, 李效东, 韩喻 2010 59 1082]
[17] Lei H L, Li J, Tang Y J, Shi H L, Liu Y Q 2009 High Power Laser Particle Beams 21 53 (in Chinese) [雷海乐, 黎 军, 唐永建, 师洪丽, 刘元琼 2009 强激光与粒子束 21 53]
[18] Chen G B, Bao R, Huang Y H 2006 Cryogenic Engineering Technical Data (Vol.2) (Beijing: Chemical Industry Press) p122 (in Chinese) [陈国邦, 包 锐, 黄永华 2006 低温工程技术数据 (第二卷) (北京: 化学工业出版社) 第122页]
[19] Liu Y Q, Zhao X S, Lei H L, Xie D, Gao D Z 2010 High Power Laser Particle Beams 22 2880 (in Chinese) [刘元琼, 赵学森, 雷海乐, 谢端, 高党忠 2010 强激光与粒子 束22 2880]
[20] Wang K, Lin W, Liu Y Q, Xie D, Li J, Ma K Q, Tang Y J, Lei H L 2012 Acta Phys. Sin. 61 195204 (in Chinese) [王凯, 林伟, 刘元琼, 谢端, 黎军, 马坤全, 唐永建, 雷海乐 2012 61 195204]
[21] Lei H L, Li J, Tang Y J, Liu Y Q 2009 Rev. Sci. Instrum. 80 03310
[22] Souers P C 1985 Hydrogen Properties for Fusion Energy (California: University of California Press) pp324–335
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