Fourier transform microwave/millimeter-wave spectroscopy of the ScC 2 (X̃2A1) radical: A model system for endohedral metallofullerenes

J. Min; D. T. Halfen; L. M. Ziurys

doi:10.1016/j.cplett.2014.06.031

Fourier transform microwave/millimeter-wave spectroscopy of the ScC ₂ (X̃²A₁) radical: A model system for endohedral metallofullerenes

J. Min
, D. T. Halfen
, L. M. Ziurys

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

15 Scopus citations

Abstract

The pure rotational spectrum of the ScC₂ radical (X̃²A₁) has been measured using Fourier transform microwave/millimeter-wave techniques in the frequency range 15-63 GHz - the first high-resolution spectroscopic study of a 3d dicarbide species. ScC ₂ was created in a supersonic expansion from laser-ablated scandium and CH₄ in the presence of a DC discharge. Four transitions, N _Ka,Kc = 1₀₁ → 0₀₀ through 4₀₄ → 3₀₃, were recorded, each consisting of multiple fine/hyperfine components; rotational, fine structure, and Sc(I = 7/2) hyperfine constants were determined. These measurements confirm the T-shaped geometry for ScC ₂, and suggest the molecule has significant covalent character.

Original language	English (US)
Pages (from-to)	70-75
Number of pages	6
Journal	Chemical Physics Letters
Volume	609
DOIs	https://doi.org/10.1016/j.cplett.2014.06.031
State	Published - Aug 5 2014

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2014.06.031

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title = "Fourier transform microwave/millimeter-wave spectroscopy of the ScC 2 ({\~X}2A1) radical: A model system for endohedral metallofullerenes",

abstract = "The pure rotational spectrum of the ScC2 radical ({\~X}2A1) has been measured using Fourier transform microwave/millimeter-wave techniques in the frequency range 15-63 GHz - the first high-resolution spectroscopic study of a 3d dicarbide species. ScC 2 was created in a supersonic expansion from laser-ablated scandium and CH4 in the presence of a DC discharge. Four transitions, N Ka,Kc = 101 → 000 through 404 → 303, were recorded, each consisting of multiple fine/hyperfine components; rotational, fine structure, and Sc(I = 7/2) hyperfine constants were determined. These measurements confirm the T-shaped geometry for ScC 2, and suggest the molecule has significant covalent character.",

author = "J. Min and Halfen, \{D. T.\} and Ziurys, \{L. M.\}",

note = "Funding Information: This research is supported by NSF Grant CHE-1 057 924 . ",

year = "2014",

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doi = "10.1016/j.cplett.2014.06.031",

language = "English (US)",

volume = "609",

pages = "70--75",

journal = "Chemical Physics Letters",

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T1 - Fourier transform microwave/millimeter-wave spectroscopy of the ScC 2 (X̃2A1) radical

T2 - A model system for endohedral metallofullerenes

AU - Min, J.

AU - Halfen, D. T.

AU - Ziurys, L. M.

N1 - Funding Information: This research is supported by NSF Grant CHE-1 057 924 .

PY - 2014/8/5

Y1 - 2014/8/5

N2 - The pure rotational spectrum of the ScC2 radical (X̃2A1) has been measured using Fourier transform microwave/millimeter-wave techniques in the frequency range 15-63 GHz - the first high-resolution spectroscopic study of a 3d dicarbide species. ScC 2 was created in a supersonic expansion from laser-ablated scandium and CH4 in the presence of a DC discharge. Four transitions, N Ka,Kc = 101 → 000 through 404 → 303, were recorded, each consisting of multiple fine/hyperfine components; rotational, fine structure, and Sc(I = 7/2) hyperfine constants were determined. These measurements confirm the T-shaped geometry for ScC 2, and suggest the molecule has significant covalent character.

AB - The pure rotational spectrum of the ScC2 radical (X̃2A1) has been measured using Fourier transform microwave/millimeter-wave techniques in the frequency range 15-63 GHz - the first high-resolution spectroscopic study of a 3d dicarbide species. ScC 2 was created in a supersonic expansion from laser-ablated scandium and CH4 in the presence of a DC discharge. Four transitions, N Ka,Kc = 101 → 000 through 404 → 303, were recorded, each consisting of multiple fine/hyperfine components; rotational, fine structure, and Sc(I = 7/2) hyperfine constants were determined. These measurements confirm the T-shaped geometry for ScC 2, and suggest the molecule has significant covalent character.

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DO - 10.1016/j.cplett.2014.06.031

M3 - Article

AN - SCOPUS:84904323233

SN - 0009-2614

VL - 609

SP - 70

EP - 75

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Fourier transform microwave/millimeter-wave spectroscopy of the ScC ₂ (X̃²A₁) radical: A model system for endohedral metallofullerenes

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