Direct-potential-fit analysis of new infrared and UV/visible A (1)Sigma(+)-X (1)Sigma(+) emission spectra of AgH and AgD

R J  Le Roy; D R T  Appadoo; K  Anderson; A  Shayesteh; I E  Gordon; P F  Bernath

doi:10.1063/1.2064947

Direct-potential-fit analysis of new infrared and UV/visible A (1)Sigma(+)-X (1)Sigma(+) emission spectra of AgH and AgD

R J Le Roy, D R T Appadoo, K Anderson, A Shayesteh, I E Gordon, P F Bernath

Chemistry

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

Abstract

New high-resolution infrared and UV/visible spectra of (AgH)-Ag-107, (AgH)-Ag-109, (AgD)-Ag-107, and (AgD)-Ag-109 have been recorded with a Fourier transform spectrometer. The new line positions are combined with published microwave and older electronic A (1)Sigma(+)-X (1)Sigma(+) data and used, first in a decoupled analysis of the X state alone, and then in a global multi-isotopologue analysis which yields comprehensive descriptions of both the X (1)Sigma(+) and A (1)Sigma(+) states of all four isotopologues of AgH. While the A state was long believed to be heavily perturbed, it is shown that its irregular spectrum merely reflects an unusual potential function shape. A direct fit of all data to appropriate radial Hamiltonians yields analytic potential-energy functions and Born-Oppenheimer breakdown radial functions for the ground X (1)Sigma(+) and A (1)Sigma(+) states. (c) 2005 American Institute of Physics.

Original language	English
Pages (from-to)	-
Number of pages	12
Journal	Journal of Chemical Physics
Volume	123
Issue number	20
DOIs	https://doi.org/10.1063/1.2064947
Publication status	Published - 22 Nov 2005

Keywords

BORN-OPPENHEIMER-BREAKDOWN
REPRESENTING VIBRATIONAL EIGENENERGIES
NEAR-DISSOCIATION EXPANSIONS
COINAGE METAL-HYDRIDES
DIATOMIC-MOLECULES
GROUND-STATE
FUNCTIONAL FORM
SILVER HYDRIDE
ABSORPTION-SPECTRA
AUH

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10.1063/1.2064947

Cite this

@article{4769f2eaa2e94cb3b832d8ea3f654ba2,

title = "Direct-potential-fit analysis of new infrared and UV/visible A (1)Sigma(+)-X (1)Sigma(+) emission spectra of AgH and AgD",

abstract = "New high-resolution infrared and UV/visible spectra of (AgH)-Ag-107, (AgH)-Ag-109, (AgD)-Ag-107, and (AgD)-Ag-109 have been recorded with a Fourier transform spectrometer. The new line positions are combined with published microwave and older electronic A (1)Sigma(+)-X (1)Sigma(+) data and used, first in a decoupled analysis of the X state alone, and then in a global multi-isotopologue analysis which yields comprehensive descriptions of both the X (1)Sigma(+) and A (1)Sigma(+) states of all four isotopologues of AgH. While the A state was long believed to be heavily perturbed, it is shown that its irregular spectrum merely reflects an unusual potential function shape. A direct fit of all data to appropriate radial Hamiltonians yields analytic potential-energy functions and Born-Oppenheimer breakdown radial functions for the ground X (1)Sigma(+) and A (1)Sigma(+) states. (c) 2005 American Institute of Physics.",

keywords = "BORN-OPPENHEIMER-BREAKDOWN, REPRESENTING VIBRATIONAL EIGENENERGIES, NEAR-DISSOCIATION EXPANSIONS, COINAGE METAL-HYDRIDES, DIATOMIC-MOLECULES, GROUND-STATE, FUNCTIONAL FORM, SILVER HYDRIDE, ABSORPTION-SPECTRA, AUH",

author = "{Le Roy}, {R J} and Appadoo, {D R T} and K Anderson and A Shayesteh and Gordon, {I E} and Bernath, {P F}",

year = "2005",

month = nov,

day = "22",

doi = "10.1063/1.2064947",

language = "English",

volume = "123",

pages = "--",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "20",

}

TY - JOUR

T1 - Direct-potential-fit analysis of new infrared and UV/visible A (1)Sigma(+)-X (1)Sigma(+) emission spectra of AgH and AgD

AU - Le Roy, R J

AU - Appadoo, D R T

AU - Anderson, K

AU - Shayesteh, A

AU - Gordon, I E

AU - Bernath, P F

PY - 2005/11/22

Y1 - 2005/11/22

N2 - New high-resolution infrared and UV/visible spectra of (AgH)-Ag-107, (AgH)-Ag-109, (AgD)-Ag-107, and (AgD)-Ag-109 have been recorded with a Fourier transform spectrometer. The new line positions are combined with published microwave and older electronic A (1)Sigma(+)-X (1)Sigma(+) data and used, first in a decoupled analysis of the X state alone, and then in a global multi-isotopologue analysis which yields comprehensive descriptions of both the X (1)Sigma(+) and A (1)Sigma(+) states of all four isotopologues of AgH. While the A state was long believed to be heavily perturbed, it is shown that its irregular spectrum merely reflects an unusual potential function shape. A direct fit of all data to appropriate radial Hamiltonians yields analytic potential-energy functions and Born-Oppenheimer breakdown radial functions for the ground X (1)Sigma(+) and A (1)Sigma(+) states. (c) 2005 American Institute of Physics.

AB - New high-resolution infrared and UV/visible spectra of (AgH)-Ag-107, (AgH)-Ag-109, (AgD)-Ag-107, and (AgD)-Ag-109 have been recorded with a Fourier transform spectrometer. The new line positions are combined with published microwave and older electronic A (1)Sigma(+)-X (1)Sigma(+) data and used, first in a decoupled analysis of the X state alone, and then in a global multi-isotopologue analysis which yields comprehensive descriptions of both the X (1)Sigma(+) and A (1)Sigma(+) states of all four isotopologues of AgH. While the A state was long believed to be heavily perturbed, it is shown that its irregular spectrum merely reflects an unusual potential function shape. A direct fit of all data to appropriate radial Hamiltonians yields analytic potential-energy functions and Born-Oppenheimer breakdown radial functions for the ground X (1)Sigma(+) and A (1)Sigma(+) states. (c) 2005 American Institute of Physics.

KW - BORN-OPPENHEIMER-BREAKDOWN

KW - REPRESENTING VIBRATIONAL EIGENENERGIES

KW - NEAR-DISSOCIATION EXPANSIONS

KW - COINAGE METAL-HYDRIDES

KW - DIATOMIC-MOLECULES

KW - GROUND-STATE

KW - FUNCTIONAL FORM

KW - SILVER HYDRIDE

KW - ABSORPTION-SPECTRA

KW - AUH

U2 - 10.1063/1.2064947

DO - 10.1063/1.2064947

M3 - Article

SN - 0021-9606

VL - 123

SP - -

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 20

ER -