A New Look at the Infrared Spectrum of the Weakly Bound CO-N2 Complex

被引：10

作者：

Rezaei, Mojtaba ^{[1
]}

Michaelian, K. H. ^{[2
]}

Moazzen-Ahmadi, N. ^{[1
]}

McKellar, A. R. W. ^{[3
]}

机构：

[1] Univ Calgary, Dept Phys & Astron, Calgary, AB T2N 1N4, Canada

[2] Nat Resources Canada, CanmetENERGY, Devon, AB T9G 1A8, Canada

[3] Natl Res Council Canada, Ottawa, ON K1A 0R6, Canada

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2013年 / 117卷 / 50期

基金：

加拿大自然科学与工程研究理事会;

关键词：

MILLIMETER-WAVE SPECTRUM; POTENTIAL-ENERGY SURFACE; DER-WAALS COMPLEX; CO DIMER; AB-INITIO; ROVIBRATIONAL CALCULATIONS; STATES; ASSIGNMENTS; CO-ORTHON(2); ORTHO-N-2;

D O I：

10.1021/jp407896d

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：

A broad-band (2135-2165 cm(-1)) infrared spectrum of the CO-N-2 van der Waals complex is obtained, using a tunable quantum cascade laser to probe a pulsed supersonic expansion from a slit jet source. Analysis of the spectrum results in the characterization of four new 'stacks' of rotational levels for CO-orthoN(2) (all in the v(CO) = 1 upper state) and five new stacks for CO-paraN(2) (three in the upper state and two in the v(CO) = 0 lower state). This considerably expands our knowledge of a rather fundamental weakly bound complex and should lead to improved determinations of the intermolecular forces governing interactions between the carbon monoxide and nitrogen molecules.

引用

页码：13752 / 13758

页数：7

共 38 条

[1] Infrared spectrum and energy levels of the CO dimer: Evidence for two almost isoenergetic isomers [J].

Brookes, MD ;

McKellar, ARW .

JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (16) :7321-7328

[2] The mystery of the CO dimer: assignments from variable-temperature jet-cooled infrared spectra [J].

Brookes, MD ;

McKellar, ARW .

CHEMICAL PHYSICS LETTERS, 1998, 287 (3-4) :365-370

[3] CO Dimer: New Potential Energy Surface and Rovibrational Calculations [J].

Dawes, Richard ;

Wang, Xiao-Gang ;

Carrington, Tucker, Jr. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 117 (32) :7612-7630

[4] Isotope effects in the infrared spectra of the polar and nonpolar isomers of N2O dimer [J].

Dehghany, M. ;

Afshari, Mahin ;

Abusara, Z. ;

Van Eck, C. ;

Moazzen-Ahmadi, N. .

JOURNAL OF MOLECULAR SPECTROSCOPY, 2008, 247 (02) :123-127

[5] An ab initio study of the CO-N2 complex [J].

Fiser, J ;

Polák, R .

CHEMICAL PHYSICS LETTERS, 2002, 360 (5-6) :565-572

[6] Global fits of new intermolecular ground state potential energy surfaces for N2-H2 and N2-N2 van der Waals dimers [J].

Gomez, L. ;

Bussery-Honvault, B. ;

Cauchy, T. ;

Bartolomei, A. ;

Cappelletti, D. ;

Pirani, F. .

CHEMICAL PHYSICS LETTERS, 2007, 445 (4-6) :99-107

[7] Quantifying the anisotropy of intermolecular potential energy surfaces: a critical assessment of available N2-N2 potentials [J].

Karimi-Jafari, M. H. ;

Ashouri, M. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (20) :9887-9894

[8] Intermolecular Potential Energy Surface of the N2-CO Dimer: Ab Initio Investigation and Analytical Representation [J].

Karimi-Jafari, M. H. ;

Maghari, A. ;

Farjamnia, A. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (06) :1143-1151

[9]

Karimi-Jafari M.H., 2005, Chem. Phys, V314, P249

[10]

Kawashima Y, 1996, CHEM PHYS LETT, V249, P87, DOI 10.1016/0009-2614(95)01354-7

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