Absorption spectrum of deuterated water vapor enriched by 18O between 6000 and 9200cm−1

Михайленко, С.Н.; Naumenko, O. V.; Nikitin, A.V.; Vasilenko, I. A.; Liu, A.-W.; Song, K.-F.; Ni, H.-Y.; Hu, S.-M.

doi:10.1016/j.jqsrt.2012.02.009

Cited by 44 publications

(22 citation statements)

References 74 publications

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“…This has already been done for H 2 17 O and H 2 18 O, see Part II. Further updates should include the sources which are listed as "new" [64][65][66][67][68][69][70][71][72][73][74][75][76][77][78][79] in Table 1. This list includes data from the Grenoble group [78,79] which was used for H 2 16 O in Part III but also contains information on other isotopologues.…”

Section: Levels and Linesmentioning

confidence: 99%

A database of water transitions from experiment and theory (IUPAC Technical Report)

Tennyson

Bernath

Brown

et al. 2014

Pure and Applied Chemistry

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Abstract:The report and results of an IUPAC Task Group (TG) formed in 2004 on "A Database of Water Transitions from Experiment and Theory" (Project No. 2004-035-1-100) O, are determined from measured transition frequencies. The transition frequencies and energy levels are validated using first-principles nuclear motion computations and the MARVEL (measured active rotational-vibrational energy levels) approach. The extensive data including lines and levels are required for analysis and synthesis of spectra, thermochemical applications, the construction of theoretical models, and the removal of spectral contamination by ubiquitous water lines. These datasets can also be used to assess where measurements are lacking for each isotopologue and to provide accurate frequencies for many yet-to-be measured transitions. The lack of high-quality frequency calibration standards in the near infrared is identified as an issue that has hindered the determination of high-accuracy energy levels at higher frequencies. The generation of spectra using the MARVEL energy levels combined with transition intensities computed using high accuracy ab initio dipole moment surfaces are discussed. A recommendation of the TG is for further work to identify a single, suitable model to represent pressure-(and temperature-) dependent line profiles more accurately than Voigt profiles.

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Section: Levels and Linesmentioning

confidence: 99%

A database of water transitions from experiment and theory (IUPAC Technical Report)

Tennyson

Bernath

Brown

et al. 2014

Pure and Applied Chemistry

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“…After completion of this work Mikhailenko et al [41] presented an analysis of an isotopically enriched water spectrum in the 6000 -9200 cm −1 region recorded using a Fourier Transform spectrometer set up as detailed in Refs. [42,43].…”

Section: Discussionmentioning

confidence: 99%

Analysis of an 18O and D enhanced water spectrum and new assignments for HD18O and D218O in the near-infrared region (6000–7000cm−1) using newly calculated variational line lists

Down¹,

Tennyson²,

Orphal³

et al. 2012

Journal of Molecular Spectroscopy

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“…Ïîëó÷åííûå â èòîãå ÊÂ-óðîâíè ýíåðãèè áûëè èñïîëüçîâàíû äëÿ ñîñòàâëåíèÿ ýìïèðè÷åñêèõ ñïèñêîâ ëèíèé äëÿ ìîëåêóë H 2 18 O, H 2 17 O [6] è H 2 16 O [7]. Â íàñòîÿùåé ñòàòüå ýìïèðè÷åñêèå ñïèñêè ëèíèé ïîãëîùåíèÿ äëÿ ìîëåêóë HD 18 O è D 2 18 O ñîñòàâëåíû íà îñíîâå âûñîêîòî÷íûõ óðîâíåé ýíåðãèè, ïîëó-÷åííûõ â íåäàâíèõ ðàáîòàõ [8,9] è èçâåñòíûõ èç ëèòåðàòóðû, è âàðèàöèîííûõ ðàñ÷åòîâ [10-12].…”

Section: ââåäåíèåunclassified

“…Â íàøåì ðàñïîðÿaeåíèè èìåëñÿ òîëüêî îäèí âàðèàöèîííûé ðàñ÷åò èíòåíñèâíîñòåé, ïîýòîìó ìû ïðîâåëè äîïîëíèòåëüíîå òåñòèðîâàíèå åãî êà÷åñòâà ñ èñïîëüçîâàíèåì äîñòóïíîé â ëèòåðàòóðå íåìíîãî-÷èñëåííîé èíôîðìàöèè ïî ýêñïåðèìåíòàëüíûì èíòåíñèâíîñòÿì HD 18 O è D 2 18 O, à òàêaeå íàøèõ ñîáñòâåííûõ äàííûõ, ïîëó÷åííûõ â ðàáîòàõ [8,9].…”

Section: îöåíêà òî÷íîñòè âàðèàöèîííûõ ðàñ÷åòîâ èíòåíñèâíîñòåéunclassified

“…Ñîïîñòàâëåíèå ýêñïåðèìåíòàëüíûõ è âàðèàöèîííûõ óðîâíåé ýíåðãèè ïðîâîäèëîñü â äâà ýòàïà. Ïðè ýòîì âàaeíûì êðèòåðèåì ÿâëÿëîñü ìàêñèìàëüíîå îòêëîíåíèå âàðèàöèîííîãî ðàñ÷åòà îò ýêñïåðèìåíòà, êîòîðîå áûëî îïðåäåëåíî â ïðîöåññå èäåíòèôèêàöèè ñïåêòðîâ â ðàáîòàõ [8,9] è ñîñòàâèëî 0,26 ñì -1 äëÿ HD 18 O è 0,30 ñì -1 äëÿ D 2 18 O. Íà ïåðâîì ýòàïå ïðè ñðàâíåíèè îòñëåaeèâàëîñü ñîâïàäåíèå âñåõ øåñòè ÊÂ êâàíòîâûõ ÷èñåë -…”

Section: ïðîöåäóðà ïîñòðîåíèÿ è ôîðìàò ýìïèðè÷åñêèõ ñïèñêîâ ëèíèéunclassified

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Empirical absorption linelists of the HD18O and D218O molecules

2015

AOO

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Ïîñòóïèëà â ðåäàêöèþ 11.03.2015 ã. Íà îñíîâå ýêñïåðèìåíòàëüíûõ óðîâíåé ýíåðãèè, èçâåñòíûõ èç ëèòåðàòóðû, è ab initio èíòåíñèâíîñòåé ïåðåõîäîâ, ïîëó÷åííûõ ñ ïîìîùüþ âàðèàöèîííîãî ðàñ÷åòà, ñîñòàâëåíû äåòàëüíûå è âûñîêîòî÷íûå ñïèñêè ëèíèé ïîãëîùåíèÿ ìîëåêóë HD 18 O è D 2 18 O â äèàïàçîíå 0-9400 ñì-1-òàê íàçûâàåìûå ýìïèðè÷åñêèå ñïèñêè ëèíèé. Öåíòðû ïåðåõîäîâ â ýìïèðè÷åñêèõ ñïèñêàõ îïðåäåëåíû íà óðîâíå äîñòóïíîé ýêñïåðèìåíòàëüíîé òî÷íîñòè è ëó÷øå â ñëó÷àå ñëàáûõ ëèáî íåðàçðåøåííûõ ëèíèé. Ñðåäíÿÿ òî÷íîñòü ðàñ÷åòíûõ èíòåíñèâíîñòåé ñîñòàâëÿåò îêîëî 10%. Ýìïèðè÷åñêèå ñïèñêè ëèíèé ïîãëîùåíèÿ èçîòîïîëîãîâ âîäÿíîãî ïàðà â íàñòîÿùåå âðåìÿ çàìåùàþò íåïîëíûå ëèáî íèçêîòî÷íûå ýêñïåðèìåíòàëüíûå äàííûå â êàíîíè÷åñêèõ ñïåêòðîñêîïè÷åñêèõ áàíêàõ äàííûõ, òàêèõ êàê HITRAN. Êëþ÷åâûå ñëîâà: ýìïèðè÷åñêèå ñïèñêè ëèíèé, êîëåáàòåëüíî-âðàùàòåëüíûå ïåðåõîäû ìîëåêóë HD 18 O è D 2 18 O; empirical linelists, rotational-vibrational transitions of HD 18 O è D 2 18 O.

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Absorption spectrum of deuterated water vapor enriched by 18O between 6000 and 9200cm−1

Cited by 44 publications

References 74 publications

A database of water transitions from experiment and theory (IUPAC Technical Report)

A database of water transitions from experiment and theory (IUPAC Technical Report)

Analysis of an 18O and D enhanced water spectrum and new assignments for HD18O and D218O in the near-infrared region (6000–7000cm−1) using newly calculated variational line lists

Empirical absorption linelists of the HD18O and D218O molecules

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