Re-analysis of the ultraviolet absorption spectrum of ozone

P O'Keeffe; T Ridley; KP Lawley; RJ Donovan

doi:10.1063/1.1412254

Re-analysis of the ultraviolet absorption spectrum of ozone

P O'Keeffe, T Ridley^*, KP Lawley, RJ Donovan

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

A re-analysis of the Huggins and Hartley bands in the ultraviolet absorption spectrum of O-3 is presented in which the structure in both bands is assigned to vibrational progressions in the symmetric stretching mode nu (1) and the bending mode nu (2) but not the asymmetric stretching mode nu (3). The present improved fit of a larger range of bands results in relatively large anharmonicity terms, whereas previous assignments have relied on the motion being largely harmonic in the upper state. From a consideration of the shape of single surface required to support both sets of vibrational data, it is concluded that the Huggins bands almost certainly terminate on the 2 (1)A(1) state rather than the 1 B-1(2) state. (C) 2001 American Institute of Physics.

Original language	English
Pages (from-to)	9311-9319
Number of pages	9
Journal	The Journal of Chemical Physics
Volume	115
Issue number	20
DOIs	https://doi.org/10.1063/1.1412254
Publication status	Published - 22 Nov 2001

Keywords

POTENTIAL-ENERGY SURFACES
JET-COOLED OZONE
EXCITED-STATES
CROSS-SECTIONS
HARTLEY BAND
VIBRATIONAL STRUCTURE
SYMMETRIC TRIATOMICS
PHOTO-DISSOCIATION
WAVELENGTH REGION
HUGGINS BANDS

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Cite this

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title = "Re-analysis of the ultraviolet absorption spectrum of ozone",

abstract = "A re-analysis of the Huggins and Hartley bands in the ultraviolet absorption spectrum of O-3 is presented in which the structure in both bands is assigned to vibrational progressions in the symmetric stretching mode nu (1) and the bending mode nu (2) but not the asymmetric stretching mode nu (3). The present improved fit of a larger range of bands results in relatively large anharmonicity terms, whereas previous assignments have relied on the motion being largely harmonic in the upper state. From a consideration of the shape of single surface required to support both sets of vibrational data, it is concluded that the Huggins bands almost certainly terminate on the 2 (1)A(1) state rather than the 1 B-1(2) state. (C) 2001 American Institute of Physics.",

keywords = "POTENTIAL-ENERGY SURFACES, JET-COOLED OZONE, EXCITED-STATES, CROSS-SECTIONS, HARTLEY BAND, VIBRATIONAL STRUCTURE, SYMMETRIC TRIATOMICS, PHOTO-DISSOCIATION, WAVELENGTH REGION, HUGGINS BANDS",

author = "P O'Keeffe and T Ridley and KP Lawley and RJ Donovan",

year = "2001",

month = nov,

day = "22",

doi = "10.1063/1.1412254",

language = "English",

volume = "115",

pages = "9311--9319",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "AMER INST PHYSICS",

number = "20",

}

TY - JOUR

T1 - Re-analysis of the ultraviolet absorption spectrum of ozone

AU - O'Keeffe, P

AU - Ridley, T

AU - Lawley, KP

AU - Donovan, RJ

PY - 2001/11/22

Y1 - 2001/11/22

N2 - A re-analysis of the Huggins and Hartley bands in the ultraviolet absorption spectrum of O-3 is presented in which the structure in both bands is assigned to vibrational progressions in the symmetric stretching mode nu (1) and the bending mode nu (2) but not the asymmetric stretching mode nu (3). The present improved fit of a larger range of bands results in relatively large anharmonicity terms, whereas previous assignments have relied on the motion being largely harmonic in the upper state. From a consideration of the shape of single surface required to support both sets of vibrational data, it is concluded that the Huggins bands almost certainly terminate on the 2 (1)A(1) state rather than the 1 B-1(2) state. (C) 2001 American Institute of Physics.

AB - A re-analysis of the Huggins and Hartley bands in the ultraviolet absorption spectrum of O-3 is presented in which the structure in both bands is assigned to vibrational progressions in the symmetric stretching mode nu (1) and the bending mode nu (2) but not the asymmetric stretching mode nu (3). The present improved fit of a larger range of bands results in relatively large anharmonicity terms, whereas previous assignments have relied on the motion being largely harmonic in the upper state. From a consideration of the shape of single surface required to support both sets of vibrational data, it is concluded that the Huggins bands almost certainly terminate on the 2 (1)A(1) state rather than the 1 B-1(2) state. (C) 2001 American Institute of Physics.

KW - POTENTIAL-ENERGY SURFACES

KW - JET-COOLED OZONE

KW - EXCITED-STATES

KW - CROSS-SECTIONS

KW - HARTLEY BAND

KW - VIBRATIONAL STRUCTURE

KW - SYMMETRIC TRIATOMICS

KW - PHOTO-DISSOCIATION

KW - WAVELENGTH REGION

KW - HUGGINS BANDS

U2 - 10.1063/1.1412254

DO - 10.1063/1.1412254

M3 - Article

VL - 115

SP - 9311

EP - 9319

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

SN - 0021-9606

IS - 20

ER -

Re-analysis of the ultraviolet absorption spectrum of ozone

Abstract

Keywords

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