Identification of combination and overtone bands in the matrix infrared spectrum of NC3NC

Alice M. Smith; Vladimir E. Bondybey; Matthias Horn; Peter Botschwina

doi:10.1063/1.466558

Identification of combination and overtone bands in the matrix infrared spectrum of NC₃NC

Alice M. Smith
, Vladimir E. Bondybey
, Matthias Horn
, Peter Botschwina

Chair of Physical Chemistry

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

16 Scopus citations

Abstract

Ten overtone and combination bands of iso-dicyanoacetylene (NC ₃NC), produced by in situ pulsed ultraviolet laser photoisomerization of dicyanoacetylene in an argon matrix, have been assigned in our Fourier-transform absorption spectra. Experimental band frequencies, relative band intensities, and derived anharmonicity constants are compared in detail to CEPA-1 theoretical calculations. The agreement here, even for overtone band intensities, is excellent.

Original language	English
Pages (from-to)	765-767
Number of pages	3
Journal	Journal of Chemical Physics
Volume	100
Issue number	2
DOIs	https://doi.org/10.1063/1.466558
State	Published - 1994

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title = "Identification of combination and overtone bands in the matrix infrared spectrum of NC3NC",

abstract = "Ten overtone and combination bands of iso-dicyanoacetylene (NC 3NC), produced by in situ pulsed ultraviolet laser photoisomerization of dicyanoacetylene in an argon matrix, have been assigned in our Fourier-transform absorption spectra. Experimental band frequencies, relative band intensities, and derived anharmonicity constants are compared in detail to CEPA-1 theoretical calculations. The agreement here, even for overtone band intensities, is excellent.",

author = "Smith, \{Alice M.\} and Bondybey, \{Vladimir E.\} and Matthias Horn and Peter Botschwina",

year = "1994",

doi = "10.1063/1.466558",

language = "English",

volume = "100",

pages = "765--767",

journal = "Journal of Chemical Physics",

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publisher = "American Institute of Physics",

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T1 - Identification of combination and overtone bands in the matrix infrared spectrum of NC3NC

AU - Smith, Alice M.

AU - Bondybey, Vladimir E.

AU - Horn, Matthias

AU - Botschwina, Peter

PY - 1994

Y1 - 1994

N2 - Ten overtone and combination bands of iso-dicyanoacetylene (NC 3NC), produced by in situ pulsed ultraviolet laser photoisomerization of dicyanoacetylene in an argon matrix, have been assigned in our Fourier-transform absorption spectra. Experimental band frequencies, relative band intensities, and derived anharmonicity constants are compared in detail to CEPA-1 theoretical calculations. The agreement here, even for overtone band intensities, is excellent.

AB - Ten overtone and combination bands of iso-dicyanoacetylene (NC 3NC), produced by in situ pulsed ultraviolet laser photoisomerization of dicyanoacetylene in an argon matrix, have been assigned in our Fourier-transform absorption spectra. Experimental band frequencies, relative band intensities, and derived anharmonicity constants are compared in detail to CEPA-1 theoretical calculations. The agreement here, even for overtone band intensities, is excellent.

UR - https://www.scopus.com/pages/publications/0001249276

U2 - 10.1063/1.466558

DO - 10.1063/1.466558

M3 - Article

AN - SCOPUS:0001249276

SN - 0021-9606

VL - 100

SP - 765

EP - 767

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 2

ER -

Identification of combination and overtone bands in the matrix infrared spectrum of NC₃NC

Abstract

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