Absorption spectra of ammonia near 1 μm

被引：14

作者：

Barton, Emma J. ^{[1
]}

Polyansky, Oleg L. ^{[1
]}

Yurchenko, Sergei N. ^{[1
]}

Tennyson, Jonathan ^{[1
]}

Civis, S. ^{[2
]}

Ferus, M. ^{[2
]}

Hargreaves, R. ^{[3
]}

Ovsyannikov, R. I. ^{[4
]}

Kyuberis, A. A. ^{[4
]}

Zobov, N. F. ^{[4
]}

Beguier, S. ^{[5
,6
]}

Campargue, A. ^{[5
,6
]}

机构：

[1] UCL, Dept Phys & Astron, London WC1E 6BT, England

[2] Acad Sci Czech Republ, J Heyrovsky Inst Phys Chem, Dolejskova 3, CZ-18223 Prague 8, Czech Republic

[3] Old Dominion Univ, Dept Chem & Biochem, Norfolk, VA 23529 USA

[4] Russian Acad Sci, Inst Appl Phys, Uljanov St 46, Nizny Novgorod 603950, Russia

[5] Univ Grenoble Alpes, LIPhy, F-38000 Grenoble, France

[6] CNRS, LIPhy, F-38000 Grenoble, France

来源：

JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER | 2017年 / 203卷

基金：

欧洲研究理事会; 美国国家科学基金会;

关键词：

Room temperature; Ammonia; Absorption intensities; FTIR spectroscopy; Experimental energies; BYTe; Line assignments; POTENTIAL-ENERGY SURFACES; LINE LIST; NH3; (NH3)-N-14; MARVEL; SPECTROSCOPY; ACCURACY; CM(-1);

D O I：

10.1016/j.jqsrt.2017.03.042

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

An ammonia absorption spectrum recorded at room temperature in the region 8800-10,400 cm(-1) is analysed using a variational line list, BYTe, and ground state energies determined using the MARVEL procedure. BYTe is used as a starting point to initialise assignments by combination differences and the method of branches. Assignments are presented for the region 9400-9850 cm(-1). 642 lines are assigned to 6 previously unobserved vibrational bands, (2 nu(1) + 2 nu(2)(4))(+/-), (2 nu(1) + nu(1)(3))(+/-) and (nu(1) + nu(1)(3) + 2 nu(2)(4))(+/-), leading to 428 new energy levels with 208 confirmed by combination differences. A recently calculated purely ab initio NH3 PES is also used to calculate rovibrational energy levels. Comparison with assigned levels shows better agreement between observed and calculated levels than for BYTe for higher vibrational bands. (C) 2017 Elsevier Ltd. All rights reserved.

引用

页码：392 / 397

页数：6

共 35 条

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