Aromatic-rare gas complexes: The microwave spectrum and structure of the fluorobenzene-neon dimer

RJ Wilson; SA Peebles; S Antolinez; ME Sanz; RL Kuczkowski

Aromatic-rare gas complexes: The microwave spectrum and structure of the fluorobenzene-neon dimer

RJ Wilson, SA Peebles, S Antolinez, ME Sanz, RL Kuczkowski^*

^*Corresponding author for this work

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

16 Citations (Scopus)

Abstract

The rotational spectrum of the fluorobenzene-neon complex was assigned. The structure of the complex was deduced from the rotational constants of the C6H5F-Ne-20, C6H5F-Ne-22, and C6D5F-Ne-20 species. The dimer has C-s symmetry. The neon atom sits nearly above the center of the fluorobenzene at a perpendicular distance of 3.422(1) Angstrom. It is shifted 0.13(1) Angstrom from the center of the ring toward the fluorinated carbon atom. The structure is compared with a number of related aromatic-rare gas complexes (rare gas = Ne or Ar). Trends are discussed in view of dispersion, polarization, and repulsive forces.

Original language	English
Pages (from-to)	10630-10635
Number of pages	6
Journal	JOURNAL OF PHYSICAL CHEMISTRY A
Volume	102
Issue number	52
Publication status	Published - 24 Dec 1998

Keywords

DER-WAALS COMPLEXES
VIBRATIONALLY AVERAGED STRUCTURES
AB-INITIO
ROTATIONAL SPECTRUM
DIPOLE-MOMENT
INTERMOLECULAR FORCES
P-DIFLUOROBENZENE
AR COMPLEX
ARGON
BENZENE

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@article{7304eea52c2545458e181e779ca4c265,

title = "Aromatic-rare gas complexes: The microwave spectrum and structure of the fluorobenzene-neon dimer",

abstract = "The rotational spectrum of the fluorobenzene-neon complex was assigned. The structure of the complex was deduced from the rotational constants of the C6H5F-Ne-20, C6H5F-Ne-22, and C6D5F-Ne-20 species. The dimer has C-s symmetry. The neon atom sits nearly above the center of the fluorobenzene at a perpendicular distance of 3.422(1) Angstrom. It is shifted 0.13(1) Angstrom from the center of the ring toward the fluorinated carbon atom. The structure is compared with a number of related aromatic-rare gas complexes (rare gas = Ne or Ar). Trends are discussed in view of dispersion, polarization, and repulsive forces.",

keywords = "DER-WAALS COMPLEXES, VIBRATIONALLY AVERAGED STRUCTURES, AB-INITIO, ROTATIONAL SPECTRUM, DIPOLE-MOMENT, INTERMOLECULAR FORCES, P-DIFLUOROBENZENE, AR COMPLEX, ARGON, BENZENE",

author = "RJ Wilson and SA Peebles and S Antolinez and ME Sanz and RL Kuczkowski",

year = "1998",

month = dec,

day = "24",

language = "English",

volume = "102",

pages = "10630--10635",

journal = "JOURNAL OF PHYSICAL CHEMISTRY A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "52",

}

TY - JOUR

T1 - Aromatic-rare gas complexes: The microwave spectrum and structure of the fluorobenzene-neon dimer

AU - Wilson, RJ

AU - Peebles, SA

AU - Antolinez, S

AU - Sanz, ME

AU - Kuczkowski, RL

PY - 1998/12/24

Y1 - 1998/12/24

N2 - The rotational spectrum of the fluorobenzene-neon complex was assigned. The structure of the complex was deduced from the rotational constants of the C6H5F-Ne-20, C6H5F-Ne-22, and C6D5F-Ne-20 species. The dimer has C-s symmetry. The neon atom sits nearly above the center of the fluorobenzene at a perpendicular distance of 3.422(1) Angstrom. It is shifted 0.13(1) Angstrom from the center of the ring toward the fluorinated carbon atom. The structure is compared with a number of related aromatic-rare gas complexes (rare gas = Ne or Ar). Trends are discussed in view of dispersion, polarization, and repulsive forces.

AB - The rotational spectrum of the fluorobenzene-neon complex was assigned. The structure of the complex was deduced from the rotational constants of the C6H5F-Ne-20, C6H5F-Ne-22, and C6D5F-Ne-20 species. The dimer has C-s symmetry. The neon atom sits nearly above the center of the fluorobenzene at a perpendicular distance of 3.422(1) Angstrom. It is shifted 0.13(1) Angstrom from the center of the ring toward the fluorinated carbon atom. The structure is compared with a number of related aromatic-rare gas complexes (rare gas = Ne or Ar). Trends are discussed in view of dispersion, polarization, and repulsive forces.

KW - DER-WAALS COMPLEXES

KW - VIBRATIONALLY AVERAGED STRUCTURES

KW - AB-INITIO

KW - ROTATIONAL SPECTRUM

KW - DIPOLE-MOMENT

KW - INTERMOLECULAR FORCES

KW - P-DIFLUOROBENZENE

KW - AR COMPLEX

KW - ARGON

KW - BENZENE

M3 - Article

SN - 1089-5639

VL - 102

SP - 10630

EP - 10635

JO - JOURNAL OF PHYSICAL CHEMISTRY A

JF - JOURNAL OF PHYSICAL CHEMISTRY A

IS - 52

ER -

Aromatic-rare gas complexes: The microwave spectrum and structure of the fluorobenzene-neon dimer

Abstract

Keywords

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