Absolute intensities of nitric acid overtones

D. J. Donaldson; J. J. Orlando; S. Amann; G. S. Tyndall; R. J. Proos; B. R. Henry; V. Vaida

doi:10.1021/jp980811d

Absolute intensities of nitric acid overtones

D. J. Donaldson, J. J. Orlando, S. Amann, G. S. Tyndall, R. J. Proos, B. R. Henry, V. Vaida

Experimental Science Section

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Abstract

The absolute absorption cross sections for the Δυ = 3 and Δυ = 4 OH local mode transitions in room-temperature, gas-phase nitric acid have been measured and calculated ab initio. The measured [calculated at the QCISD/6-31+G(d,p) level] oscillator strengths are (2.9 ± 0.3) × 10^-8 [2.78 × 10^-8] and (2.7 ± 0.3) × 10^-9 [2.14 × 10^-9]. Scaling the calculated values by 1.15 (the average ratio of measured:calculated) yields predicted oscillator strengths for transitions to υ = 5 and υ = 6 of 2.9 × 10^-10 and 4.0 × 10^-11, respectively, corresponding to integrated absorption cross sections of 2.6 × 10^-22 and 3.5 × 10^-23 cm² molecule^-1 cm^-1, respectively for these transitions. These values are almost 2 times larger than previously estimated.

Original language	English
Pages (from-to)	5171-5174
Number of pages	4
Journal	Journal of Physical Chemistry A
Volume	102
Issue number	27
DOIs	https://doi.org/10.1021/jp980811d
State	Published - Jul 2 1998

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title = "Absolute intensities of nitric acid overtones",

abstract = "The absolute absorption cross sections for the Δυ = 3 and Δυ = 4 OH local mode transitions in room-temperature, gas-phase nitric acid have been measured and calculated ab initio. The measured [calculated at the QCISD/6-31+G(d,p) level] oscillator strengths are (2.9 ± 0.3) × 10-8 [2.78 × 10-8] and (2.7 ± 0.3) × 10-9 [2.14 × 10-9]. Scaling the calculated values by 1.15 (the average ratio of measured:calculated) yields predicted oscillator strengths for transitions to υ = 5 and υ = 6 of 2.9 × 10-10 and 4.0 × 10-11, respectively, corresponding to integrated absorption cross sections of 2.6 × 10-22 and 3.5 × 10-23 cm2 molecule-1 cm-1, respectively for these transitions. These values are almost 2 times larger than previously estimated.",

author = "Donaldson, \{D. J.\} and Orlando, \{J. J.\} and S. Amann and Tyndall, \{G. S.\} and Proos, \{R. J.\} and Henry, \{B. R.\} and V. Vaida",

year = "1998",

month = jul,

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doi = "10.1021/jp980811d",

language = "English",

volume = "102",

pages = "5171--5174",

journal = "Journal of Physical Chemistry A",

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publisher = "American Chemical Society",

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TY - JOUR

T1 - Absolute intensities of nitric acid overtones

AU - Donaldson, D. J.

AU - Orlando, J. J.

AU - Amann, S.

AU - Tyndall, G. S.

AU - Proos, R. J.

AU - Henry, B. R.

AU - Vaida, V.

PY - 1998/7/2

Y1 - 1998/7/2

N2 - The absolute absorption cross sections for the Δυ = 3 and Δυ = 4 OH local mode transitions in room-temperature, gas-phase nitric acid have been measured and calculated ab initio. The measured [calculated at the QCISD/6-31+G(d,p) level] oscillator strengths are (2.9 ± 0.3) × 10-8 [2.78 × 10-8] and (2.7 ± 0.3) × 10-9 [2.14 × 10-9]. Scaling the calculated values by 1.15 (the average ratio of measured:calculated) yields predicted oscillator strengths for transitions to υ = 5 and υ = 6 of 2.9 × 10-10 and 4.0 × 10-11, respectively, corresponding to integrated absorption cross sections of 2.6 × 10-22 and 3.5 × 10-23 cm2 molecule-1 cm-1, respectively for these transitions. These values are almost 2 times larger than previously estimated.

AB - The absolute absorption cross sections for the Δυ = 3 and Δυ = 4 OH local mode transitions in room-temperature, gas-phase nitric acid have been measured and calculated ab initio. The measured [calculated at the QCISD/6-31+G(d,p) level] oscillator strengths are (2.9 ± 0.3) × 10-8 [2.78 × 10-8] and (2.7 ± 0.3) × 10-9 [2.14 × 10-9]. Scaling the calculated values by 1.15 (the average ratio of measured:calculated) yields predicted oscillator strengths for transitions to υ = 5 and υ = 6 of 2.9 × 10-10 and 4.0 × 10-11, respectively, corresponding to integrated absorption cross sections of 2.6 × 10-22 and 3.5 × 10-23 cm2 molecule-1 cm-1, respectively for these transitions. These values are almost 2 times larger than previously estimated.

UR - https://www.scopus.com/pages/publications/0001133898

U2 - 10.1021/jp980811d

DO - 10.1021/jp980811d

M3 - Article

AN - SCOPUS:0001133898

SN - 1089-5639

VL - 102

SP - 5171

EP - 5174

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 27

ER -

Absolute intensities of nitric acid overtones

Abstract

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