Emission spectroscopy of the d(1)Sigma(+)-b(1)Sigma(+), d(1)Sigma(+)-X-3 Delta(1), and e(1)Pi-a(1)Delta systems of VN

R S  Ram; P F  Bernath; S P  Davis

doi:10.1006/jmsp.2001.8436

Emission spectroscopy of the d(1)Sigma(+)-b(1)Sigma(+), d(1)Sigma(+)-X-3 Delta(1), and e(1)Pi-a(1)Delta systems of VN

R S Ram, P F Bernath, S P Davis

Chemistry

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

Abstract

The emission spectrum of VN has been investigated in the 3400-19 400 cm(-1) region using a Fourier transform spectrometer. The bands were observed from the reaction of VOCl3 vapor with active nitrogen. In addition to the previously known transitions of VN, several new bands observed in the visible and near infrared have been classified into two new electronic transitions, e (1)Pi -a (1)Delta and d (1)Sigma (+)-b (1)Sigma (+). Four bands with origins near 5267.49, 5290.48, 5318.86, and 5349.45 cm(-1) have been identified as the 0-0, 1-1, 2-2, and 3-3 bands, respectively, of the d (1)Sigma (+)-b(1)Sigma (+) transition. The excited d (1)Sigma (+) state is known from the d E-1(+)-X (3)Delta (1) transition observed previously by B. Simard, C. Masoni, and P. A. Hackett (J. Mol. Spectrosc. 136, 44-55 (1989)). The d (1)Sigma (+)-X (3)Delta (i) transition has also been observed in our spectra. Another band with two P, two Q, and two R branches and band origin near 14 292.77 cm(-1) has been assigned as the e (1)Pi -a (1)Delta transition. A rotational analysis of bands of the three transitions has been carried out and the spectroscopic constants have been evaluated. The principal spectroscopic constant's for the a (1)Delta state, which is most probably the lowest singlet state of VN, are B-0 = 0.634 804(31) cm(-1), D-0 = 9.03(14) x 10(7) cm(-1), and r(o) = 1.554 891(38) Angstrom, while the equilibrium rotational constants for the b (1)Sigma (+) state are B-e = 0.617 896(26) cm(-1), alpha (e) = 0.004 148(19) cm(-1), and r(e) = 1.576 022(33) Angstrom. The d (1)Sigma (+) state is affected by interactions with a close-lying perturbing state. (C) 2001 Elsevier Science.

Original language	English
Pages (from-to)	110-118
Number of pages	9
Journal	JOURNAL OF MOLECULAR SPECTROSCOPY
Volume	210
Issue number	1
DOIs	https://doi.org/10.1006/jmsp.2001.8436
Publication status	Published - Nov 2001

Keywords

AB-INITIO CALCULATIONS
VANADIUM MONONITRIDE
ELECTRONIC-STRUCTURE
INFRARED-SPECTRA
METAL NITRIDES
DIATOMIC FEN
STATES
NITROGEN
TRANSITION
LASER

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10.1006/jmsp.2001.8436

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@article{3ea13fdaea2748e9b0733db6d2e57555,

title = "Emission spectroscopy of the d(1)Sigma(+)-b(1)Sigma(+), d(1)Sigma(+)-X-3 Delta(1), and e(1)Pi-a(1)Delta systems of VN",

abstract = "The emission spectrum of VN has been investigated in the 3400-19 400 cm(-1) region using a Fourier transform spectrometer. The bands were observed from the reaction of VOCl3 vapor with active nitrogen. In addition to the previously known transitions of VN, several new bands observed in the visible and near infrared have been classified into two new electronic transitions, e (1)Pi -a (1)Delta and d (1)Sigma (+)-b (1)Sigma (+). Four bands with origins near 5267.49, 5290.48, 5318.86, and 5349.45 cm(-1) have been identified as the 0-0, 1-1, 2-2, and 3-3 bands, respectively, of the d (1)Sigma (+)-b(1)Sigma (+) transition. The excited d (1)Sigma (+) state is known from the d E-1(+)-X (3)Delta (1) transition observed previously by B. Simard, C. Masoni, and P. A. Hackett (J. Mol. Spectrosc. 136, 44-55 (1989)). The d (1)Sigma (+)-X (3)Delta (i) transition has also been observed in our spectra. Another band with two P, two Q, and two R branches and band origin near 14 292.77 cm(-1) has been assigned as the e (1)Pi -a (1)Delta transition. A rotational analysis of bands of the three transitions has been carried out and the spectroscopic constants have been evaluated. The principal spectroscopic constant's for the a (1)Delta state, which is most probably the lowest singlet state of VN, are B-0 = 0.634 804(31) cm(-1), D-0 = 9.03(14) x 10(7) cm(-1), and r(o) = 1.554 891(38) Angstrom, while the equilibrium rotational constants for the b (1)Sigma (+) state are B-e = 0.617 896(26) cm(-1), alpha (e) = 0.004 148(19) cm(-1), and r(e) = 1.576 022(33) Angstrom. The d (1)Sigma (+) state is affected by interactions with a close-lying perturbing state. (C) 2001 Elsevier Science.",

keywords = "AB-INITIO CALCULATIONS, VANADIUM MONONITRIDE, ELECTRONIC-STRUCTURE, INFRARED-SPECTRA, METAL NITRIDES, DIATOMIC FEN, STATES, NITROGEN, TRANSITION, LASER",

author = "Ram, {R S} and Bernath, {P F} and Davis, {S P}",

year = "2001",

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doi = "10.1006/jmsp.2001.8436",

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TY - JOUR

T1 - Emission spectroscopy of the d(1)Sigma(+)-b(1)Sigma(+), d(1)Sigma(+)-X-3 Delta(1), and e(1)Pi-a(1)Delta systems of VN

AU - Ram, R S

AU - Bernath, P F

AU - Davis, S P

PY - 2001/11

Y1 - 2001/11

N2 - The emission spectrum of VN has been investigated in the 3400-19 400 cm(-1) region using a Fourier transform spectrometer. The bands were observed from the reaction of VOCl3 vapor with active nitrogen. In addition to the previously known transitions of VN, several new bands observed in the visible and near infrared have been classified into two new electronic transitions, e (1)Pi -a (1)Delta and d (1)Sigma (+)-b (1)Sigma (+). Four bands with origins near 5267.49, 5290.48, 5318.86, and 5349.45 cm(-1) have been identified as the 0-0, 1-1, 2-2, and 3-3 bands, respectively, of the d (1)Sigma (+)-b(1)Sigma (+) transition. The excited d (1)Sigma (+) state is known from the d E-1(+)-X (3)Delta (1) transition observed previously by B. Simard, C. Masoni, and P. A. Hackett (J. Mol. Spectrosc. 136, 44-55 (1989)). The d (1)Sigma (+)-X (3)Delta (i) transition has also been observed in our spectra. Another band with two P, two Q, and two R branches and band origin near 14 292.77 cm(-1) has been assigned as the e (1)Pi -a (1)Delta transition. A rotational analysis of bands of the three transitions has been carried out and the spectroscopic constants have been evaluated. The principal spectroscopic constant's for the a (1)Delta state, which is most probably the lowest singlet state of VN, are B-0 = 0.634 804(31) cm(-1), D-0 = 9.03(14) x 10(7) cm(-1), and r(o) = 1.554 891(38) Angstrom, while the equilibrium rotational constants for the b (1)Sigma (+) state are B-e = 0.617 896(26) cm(-1), alpha (e) = 0.004 148(19) cm(-1), and r(e) = 1.576 022(33) Angstrom. The d (1)Sigma (+) state is affected by interactions with a close-lying perturbing state. (C) 2001 Elsevier Science.

AB - The emission spectrum of VN has been investigated in the 3400-19 400 cm(-1) region using a Fourier transform spectrometer. The bands were observed from the reaction of VOCl3 vapor with active nitrogen. In addition to the previously known transitions of VN, several new bands observed in the visible and near infrared have been classified into two new electronic transitions, e (1)Pi -a (1)Delta and d (1)Sigma (+)-b (1)Sigma (+). Four bands with origins near 5267.49, 5290.48, 5318.86, and 5349.45 cm(-1) have been identified as the 0-0, 1-1, 2-2, and 3-3 bands, respectively, of the d (1)Sigma (+)-b(1)Sigma (+) transition. The excited d (1)Sigma (+) state is known from the d E-1(+)-X (3)Delta (1) transition observed previously by B. Simard, C. Masoni, and P. A. Hackett (J. Mol. Spectrosc. 136, 44-55 (1989)). The d (1)Sigma (+)-X (3)Delta (i) transition has also been observed in our spectra. Another band with two P, two Q, and two R branches and band origin near 14 292.77 cm(-1) has been assigned as the e (1)Pi -a (1)Delta transition. A rotational analysis of bands of the three transitions has been carried out and the spectroscopic constants have been evaluated. The principal spectroscopic constant's for the a (1)Delta state, which is most probably the lowest singlet state of VN, are B-0 = 0.634 804(31) cm(-1), D-0 = 9.03(14) x 10(7) cm(-1), and r(o) = 1.554 891(38) Angstrom, while the equilibrium rotational constants for the b (1)Sigma (+) state are B-e = 0.617 896(26) cm(-1), alpha (e) = 0.004 148(19) cm(-1), and r(e) = 1.576 022(33) Angstrom. The d (1)Sigma (+) state is affected by interactions with a close-lying perturbing state. (C) 2001 Elsevier Science.

KW - AB-INITIO CALCULATIONS

KW - VANADIUM MONONITRIDE

KW - ELECTRONIC-STRUCTURE

KW - INFRARED-SPECTRA

KW - METAL NITRIDES

KW - DIATOMIC FEN

KW - STATES

KW - NITROGEN

KW - TRANSITION

KW - LASER

U2 - 10.1006/jmsp.2001.8436

DO - 10.1006/jmsp.2001.8436

M3 - Article

SN - 0022-2852

VL - 210

SP - 110

EP - 118

JO - JOURNAL OF MOLECULAR SPECTROSCOPY

JF - JOURNAL OF MOLECULAR SPECTROSCOPY

IS - 1

ER -