Predicted bound states and microwave spectrum of N2-He van der Waals complexes

被引：1

作者：

Li, Hui ^{[1
]}

Le Roy, Robert J. ^{[1
]}

McCourt, Frederick R. W. ^{[1
]}

机构：

[1] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 24期

关键词：

ab initio calculations; coupled cluster calculations; intermolecular forces; isoelectronic series; microwave spectra; potential energy surfaces; quasimolecules; rotational states; van der Waals forces; POTENTIAL-ENERGY SURFACE; DIFFERENTIAL CROSS-SECTIONS; HE-CO; INTERMOLECULAR POTENTIALS; TRIATOMIC-MOLECULES; INFRARED-SPECTRUM; GAS COMPLEXES; AB-INITIO; SCATTERING; HE-N2;

D O I：

10.1063/1.3157776

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Numerical calculations show that four modern potential energy surfaces for N-2-He all support 18 bound intermolecular states for the homonuclear isotopologues N-14,14(2)-He-4 and N-15,15(2)-He-4, and 12 (or 13, for one surface) truly bound states for N-14,15(2)-He. This contradicts a recent statement [Patel , J. Chem. Phys. 119, 909 (2003)] that one of these surfaces supports no bound states, and it yields predictions for 27 allowed pure rotational transitions among the truly bound states of the homonuclear isotopologues of this complex.

引用

收藏

页数：7

相关论文

共 50 条

[41] Corresponding states principle and van der Waals potentials of Zn2, Cd2, and Hg2 [J].

Wei, L. M. ;

Li, P. ;

Qiao, L. W. ;

Tang, K. T. .

JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (15)

[42] Ab initio studies of the Rg-NO+(X1Σ+) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe) [J].

Orek, Cahit ;

Klos, Jacek ;

Lique, Francois ;

Bulut, Niyazi .

JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (20)

[43] Infrared diode laser spectroscopy of O2-N2O van der Waals complex in the ν1 symmetric stretch region of N2O [J].

Li Song ;

Zheng Rui ;

Duan Chuan-Xi .

CHINESE PHYSICS B, 2014, 23 (12)

[44] High resolution infrared spectra of H2-Xe and D2-Xe van der Waals complexes [J].

McKellar, A. R. W. .

CANADIAN JOURNAL OF PHYSICS, 2013, 91 (11) :957-962

[45] Can density functional theory describe the NO(X2Π)-Ar and NO(A2Σ+)-Ar van der Waals complexes? [J].

Ershova, Olga V. ;

Besley, Nicholas A. .

JOURNAL OF CHEMICAL PHYSICS, 2012, 136 (24)

[46] (N2)6Ne7: A High Pressure van der Waals Insertion Compound [J].

Plisson, Thomas ;

Weck, Gunnar ;

Loubeyre, Paul .

PHYSICAL REVIEW LETTERS, 2014, 113 (02)

[47] Ab Initio studies of the interaction potential for the Xe-NO(X2Π) van der Waals complex: Bound states and fully quantum and quasi-classical scattering [J].

Klos, J. ;

Aoiz, F. J. ;

Menendez, M. ;

Brouard, M. ;

Chadwick, H. ;

Eyles, C. J. .

JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (01)

[48] High-resolution infrared spectra of H2-Ne and D2-Ne van der Waals complexes [J].

McKellar, A. R. W. .

CANADIAN JOURNAL OF PHYSICS, 2009, 87 (05) :411-416

[49] Accurate ground-state potential energy surfaces of the C2H2-Kr and C2H2-Xe van der Waals complexes [J].

Lauzin, C. ;

Cauet, E. ;

Demaison, J. ;

Herman, M. ;

Stoll, H. ;

Lievin, J. .

MOLECULAR PHYSICS, 2012, 110 (21-22) :2751-2760

[50] Cooperativity between S•••π and Rg•••π in the OCS•••C6H6•••Rg (Rg = He, Ne, Ar, and Kr) van der Waals Complexes [J].

Zeng, Yanli ;

Hao, Jing ;

Zheng, Shijun ;

Meng, Lingpeng .

JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (40) :11057-11066

← 1 2 3 4 5 →