Spectroscopy of carbon containing diatomic molecules

James O. Hornkohl, L. Nemes, Christian Parigger

Research output: Chapter in Book/Report/Conference proceedingChapter

11 Citations (Scopus)

Abstract

The topic of this chapter is the use of a recorded diatomic spectrum as a diagnostic tool. In this application of diatomic spectroscopy, one attempts to infer the physical environment from a spectrum produced by that environment. In current practice, temperature is normally the state variable inferred from a recorded spectrum. A concise review of applied diatomic quantum theory is given with emphasis on how a line strength table (a line list of a particular spectrum which includes the line strengths) is created from accurate measurements of line positions. An algorithm is given for finding the molecular parameters in the upper and lower Hamiltonians by fitting calculated term value differences to measured line positions. Once the molecular parameters have been found, one can compute the line positions and H¨onl-London factors even for those lines that were not included in the fitting (i.e., lines that are not experimentally known with high accuracy.) Additionally using the electronic transition moment and the Franck-Condon factors, one can compute the line strength table for the spectrum. Several examples are given showing what type of synthetic spectra can be computed from the line strength table.

Original languageEnglish
Title of host publicationSpectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System
PublisherWorld Scientific Publishing Co.
Pages113-165
Number of pages53
ISBN (Electronic)9789812837653
ISBN (Print)9812837647, 9789812837646
DOIs
Publication statusPublished - Jan 1 2011

Fingerprint

Hamiltonians
Quantum theory
Spectrum Analysis
Carbon
Quantum Theory
Spectroscopy
Molecules
Temperature

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Chemistry(all)
  • Engineering(all)

Cite this

Hornkohl, J. O., Nemes, L., & Parigger, C. (2011). Spectroscopy of carbon containing diatomic molecules. In Spectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System (pp. 113-165). World Scientific Publishing Co.. https://doi.org/10.1142/9789812837653_0004

Spectroscopy of carbon containing diatomic molecules. / Hornkohl, James O.; Nemes, L.; Parigger, Christian.

Spectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System. World Scientific Publishing Co., 2011. p. 113-165.

Research output: Chapter in Book/Report/Conference proceedingChapter

Hornkohl, JO, Nemes, L & Parigger, C 2011, Spectroscopy of carbon containing diatomic molecules. in Spectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System. World Scientific Publishing Co., pp. 113-165. https://doi.org/10.1142/9789812837653_0004
Hornkohl JO, Nemes L, Parigger C. Spectroscopy of carbon containing diatomic molecules. In Spectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System. World Scientific Publishing Co. 2011. p. 113-165 https://doi.org/10.1142/9789812837653_0004
Hornkohl, James O. ; Nemes, L. ; Parigger, Christian. / Spectroscopy of carbon containing diatomic molecules. Spectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System. World Scientific Publishing Co., 2011. pp. 113-165
@inbook{cb03e6f04cae4428b692207edb44ab8c,
title = "Spectroscopy of carbon containing diatomic molecules",
abstract = "The topic of this chapter is the use of a recorded diatomic spectrum as a diagnostic tool. In this application of diatomic spectroscopy, one attempts to infer the physical environment from a spectrum produced by that environment. In current practice, temperature is normally the state variable inferred from a recorded spectrum. A concise review of applied diatomic quantum theory is given with emphasis on how a line strength table (a line list of a particular spectrum which includes the line strengths) is created from accurate measurements of line positions. An algorithm is given for finding the molecular parameters in the upper and lower Hamiltonians by fitting calculated term value differences to measured line positions. Once the molecular parameters have been found, one can compute the line positions and H¨onl-London factors even for those lines that were not included in the fitting (i.e., lines that are not experimentally known with high accuracy.) Additionally using the electronic transition moment and the Franck-Condon factors, one can compute the line strength table for the spectrum. Several examples are given showing what type of synthetic spectra can be computed from the line strength table.",
author = "Hornkohl, {James O.} and L. Nemes and Christian Parigger",
year = "2011",
month = "1",
day = "1",
doi = "10.1142/9789812837653_0004",
language = "English",
isbn = "9812837647",
pages = "113--165",
booktitle = "Spectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System",
publisher = "World Scientific Publishing Co.",

}

TY - CHAP

T1 - Spectroscopy of carbon containing diatomic molecules

AU - Hornkohl, James O.

AU - Nemes, L.

AU - Parigger, Christian

PY - 2011/1/1

Y1 - 2011/1/1

N2 - The topic of this chapter is the use of a recorded diatomic spectrum as a diagnostic tool. In this application of diatomic spectroscopy, one attempts to infer the physical environment from a spectrum produced by that environment. In current practice, temperature is normally the state variable inferred from a recorded spectrum. A concise review of applied diatomic quantum theory is given with emphasis on how a line strength table (a line list of a particular spectrum which includes the line strengths) is created from accurate measurements of line positions. An algorithm is given for finding the molecular parameters in the upper and lower Hamiltonians by fitting calculated term value differences to measured line positions. Once the molecular parameters have been found, one can compute the line positions and H¨onl-London factors even for those lines that were not included in the fitting (i.e., lines that are not experimentally known with high accuracy.) Additionally using the electronic transition moment and the Franck-Condon factors, one can compute the line strength table for the spectrum. Several examples are given showing what type of synthetic spectra can be computed from the line strength table.

AB - The topic of this chapter is the use of a recorded diatomic spectrum as a diagnostic tool. In this application of diatomic spectroscopy, one attempts to infer the physical environment from a spectrum produced by that environment. In current practice, temperature is normally the state variable inferred from a recorded spectrum. A concise review of applied diatomic quantum theory is given with emphasis on how a line strength table (a line list of a particular spectrum which includes the line strengths) is created from accurate measurements of line positions. An algorithm is given for finding the molecular parameters in the upper and lower Hamiltonians by fitting calculated term value differences to measured line positions. Once the molecular parameters have been found, one can compute the line positions and H¨onl-London factors even for those lines that were not included in the fitting (i.e., lines that are not experimentally known with high accuracy.) Additionally using the electronic transition moment and the Franck-Condon factors, one can compute the line strength table for the spectrum. Several examples are given showing what type of synthetic spectra can be computed from the line strength table.

UR - http://www.scopus.com/inward/record.url?scp=84970997368&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84970997368&partnerID=8YFLogxK

U2 - 10.1142/9789812837653_0004

DO - 10.1142/9789812837653_0004

M3 - Chapter

SN - 9812837647

SN - 9789812837646

SP - 113

EP - 165

BT - Spectroscopy, Dynamics and Molecular Thoery of Carbon Plasmas and Vapors: Advances in the Understanding of the Most Complex High-Temperature Elemental System

PB - World Scientific Publishing Co.

ER -