Comprehensive analysis of the A-X spectrum of I-2: An application of near-dissociation theory

D R T  Appadoo; R J  LeRoy; P F  Bernath; S  Gerstenkorn; P  Luc; J  Verges; J  Sinzelle; J  Chevillard; Y  DAignaux

Comprehensive analysis of the A-X spectrum of I-2: An application of near-dissociation theory

D R T Appadoo, R J LeRoy, P F Bernath, S Gerstenkorn, P Luc, J Verges, J Sinzelle, J Chevillard, Y DAignaux

Chemistry

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

Abstract

Hight resolution absorption spectra of the A (3) Pi(1u)-X (1) Sigma(g)(+) system of I-2, consisting of some 9552 lines of some 79 bands spanning the vibrational range upsilon' = 0-35 and upsilon '' = 3-17, have been recorded and analyzed. A fit to them which uses the previously determined accurate molecular constants for the X (1) Sigma(g)(+) state yields an accurate new set of molecular constants for the A state, including the Lambda doubling constants. The A-state vibrational and inertial rotational constants, as well as mechanically consistent centrifugal distortion constants, are represented by near-dissociation expansions, yielding an accurate representation of the experimental data which also provides a reliable global representation of all observed and unobserved vibration-rotation levels of this state. (C) 1996 American Institute of Physics.

Original language	English
Pages (from-to)	903-913
Number of pages	11
Journal	Journal of Chemical Physics
Volume	104
Issue number	3
Publication status	Published - 15 Jan 1996

Keywords

CENTRIFUGAL-DISTORTION CONSTANTS
FREE-JET EXPANSION
DIATOMIC-MOLECULES
SPECTROSCOPIC DATA
TRANSITION
I2
SYSTEM
IODINE
ENERGY
STATE

Cite this

@article{42501758512046198248eb69598735aa,

title = "Comprehensive analysis of the A-X spectrum of I-2: An application of near-dissociation theory",

abstract = "Hight resolution absorption spectra of the A (3) Pi(1u)-X (1) Sigma(g)(+) system of I-2, consisting of some 9552 lines of some 79 bands spanning the vibrational range upsilon' = 0-35 and upsilon '' = 3-17, have been recorded and analyzed. A fit to them which uses the previously determined accurate molecular constants for the X (1) Sigma(g)(+) state yields an accurate new set of molecular constants for the A state, including the Lambda doubling constants. The A-state vibrational and inertial rotational constants, as well as mechanically consistent centrifugal distortion constants, are represented by near-dissociation expansions, yielding an accurate representation of the experimental data which also provides a reliable global representation of all observed and unobserved vibration-rotation levels of this state. (C) 1996 American Institute of Physics.",

keywords = "CENTRIFUGAL-DISTORTION CONSTANTS, FREE-JET EXPANSION, DIATOMIC-MOLECULES, SPECTROSCOPIC DATA, TRANSITION, I2, SYSTEM, IODINE, ENERGY, STATE",

author = "Appadoo, {D R T} and LeRoy, {R J} and Bernath, {P F} and S Gerstenkorn and P Luc and J Verges and J Sinzelle and J Chevillard and Y DAignaux",

year = "1996",

month = jan,

day = "15",

language = "English",

volume = "104",

pages = "903--913",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "3",

}

TY - JOUR

T1 - Comprehensive analysis of the A-X spectrum of I-2: An application of near-dissociation theory

AU - Appadoo, D R T

AU - LeRoy, R J

AU - Bernath, P F

AU - Gerstenkorn, S

AU - Luc, P

AU - Verges, J

AU - Sinzelle, J

AU - Chevillard, J

AU - DAignaux, Y

PY - 1996/1/15

Y1 - 1996/1/15

N2 - Hight resolution absorption spectra of the A (3) Pi(1u)-X (1) Sigma(g)(+) system of I-2, consisting of some 9552 lines of some 79 bands spanning the vibrational range upsilon' = 0-35 and upsilon '' = 3-17, have been recorded and analyzed. A fit to them which uses the previously determined accurate molecular constants for the X (1) Sigma(g)(+) state yields an accurate new set of molecular constants for the A state, including the Lambda doubling constants. The A-state vibrational and inertial rotational constants, as well as mechanically consistent centrifugal distortion constants, are represented by near-dissociation expansions, yielding an accurate representation of the experimental data which also provides a reliable global representation of all observed and unobserved vibration-rotation levels of this state. (C) 1996 American Institute of Physics.

AB - Hight resolution absorption spectra of the A (3) Pi(1u)-X (1) Sigma(g)(+) system of I-2, consisting of some 9552 lines of some 79 bands spanning the vibrational range upsilon' = 0-35 and upsilon '' = 3-17, have been recorded and analyzed. A fit to them which uses the previously determined accurate molecular constants for the X (1) Sigma(g)(+) state yields an accurate new set of molecular constants for the A state, including the Lambda doubling constants. The A-state vibrational and inertial rotational constants, as well as mechanically consistent centrifugal distortion constants, are represented by near-dissociation expansions, yielding an accurate representation of the experimental data which also provides a reliable global representation of all observed and unobserved vibration-rotation levels of this state. (C) 1996 American Institute of Physics.

KW - CENTRIFUGAL-DISTORTION CONSTANTS

KW - FREE-JET EXPANSION

KW - DIATOMIC-MOLECULES

KW - SPECTROSCOPIC DATA

KW - TRANSITION

KW - I2

KW - SYSTEM

KW - IODINE

KW - ENERGY

KW - STATE

M3 - Article

SN - 0021-9606

VL - 104

SP - 903

EP - 913

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 3

ER -