The electronic spectrum of AuO: A combined theoretical and experimental study

Leah C. O'Brien; Anne E. Oberlink; Björn Roos

doi:10.1021/jp063394a

The electronic spectrum of AuO: A combined theoretical and experimental study

Leah C. O'Brien, Anne E. Oberlink, Björn Roos

Computational Chemistry

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

Abstract

The near-infrared electronic spectrum of AuO1 has been re-examined in light of the new microwave data on the nu = 0 and nu = 1 vibrations of the X-2 Pi(3/2) state of AuO. The two observed bands in the spectrum, with red-degraded bandheads located at 10726 and 10665 cm(-1), have been reanalyzed. New theoretical work on AuO clarifies the electronic structure, and the bands in the infrared are now assigned as the (0,1) and (1,2) bands of the a(4)Sigma(-)(3/2) - X-2 Pi(3/2) transition, respectively.

Original language	English
Pages (from-to)	11954-11957
Journal	The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Volume	110
Issue number	43
DOIs	https://doi.org/10.1021/jp063394a
Publication status	Published - 2006

Bibliographical note

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)

Subject classification (UKÄ)

Theoretical Chemistry

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10.1021/jp063394a

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title = "The electronic spectrum of AuO: A combined theoretical and experimental study",

abstract = "The near-infrared electronic spectrum of AuO1 has been re-examined in light of the new microwave data on the nu = 0 and nu = 1 vibrations of the X-2 Pi(3/2) state of AuO. The two observed bands in the spectrum, with red-degraded bandheads located at 10726 and 10665 cm(-1), have been reanalyzed. New theoretical work on AuO clarifies the electronic structure, and the bands in the infrared are now assigned as the (0,1) and (1,2) bands of the a(4)Sigma(-)(3/2) - X-2 Pi(3/2) transition, respectively.",

author = "O'Brien, {Leah C.} and Oberlink, {Anne E.} and Bj{\"o}rn Roos",

note = "The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)",

year = "2006",

doi = "10.1021/jp063394a",

language = "English",

volume = "110",

pages = "11954--11957",

journal = "The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",

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publisher = "The American Chemical Society (ACS)",

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TY - JOUR

T1 - The electronic spectrum of AuO: A combined theoretical and experimental study

AU - O'Brien, Leah C.

AU - Oberlink, Anne E.

AU - Roos, Björn

N1 - The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)

PY - 2006

Y1 - 2006

N2 - The near-infrared electronic spectrum of AuO1 has been re-examined in light of the new microwave data on the nu = 0 and nu = 1 vibrations of the X-2 Pi(3/2) state of AuO. The two observed bands in the spectrum, with red-degraded bandheads located at 10726 and 10665 cm(-1), have been reanalyzed. New theoretical work on AuO clarifies the electronic structure, and the bands in the infrared are now assigned as the (0,1) and (1,2) bands of the a(4)Sigma(-)(3/2) - X-2 Pi(3/2) transition, respectively.

AB - The near-infrared electronic spectrum of AuO1 has been re-examined in light of the new microwave data on the nu = 0 and nu = 1 vibrations of the X-2 Pi(3/2) state of AuO. The two observed bands in the spectrum, with red-degraded bandheads located at 10726 and 10665 cm(-1), have been reanalyzed. New theoretical work on AuO clarifies the electronic structure, and the bands in the infrared are now assigned as the (0,1) and (1,2) bands of the a(4)Sigma(-)(3/2) - X-2 Pi(3/2) transition, respectively.

U2 - 10.1021/jp063394a

DO - 10.1021/jp063394a

M3 - Article

SN - 1520-5215

VL - 110

SP - 11954

EP - 11957

JO - The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

IS - 43

ER -

The electronic spectrum of AuO: A combined theoretical and experimental study

Abstract

Bibliographical note

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