DOI: 10.1063/1.1733422. Benzene Ring Distortion by One Substituent. Microwave Determination of the Complete Structure of Benzonitrile

Benzene Ring Distortion by One Substituent. Microwave Determination of the Complete Structure of Benzonitrile

10.1063/1.1733422

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Microwave spectra of benzonitrile, C6H5CN, and 9 isotopic species are reported. Moments of inertia of these 10 molecules are combined to give the rs structure of benzonitrile. The final structure is: C(1)C(2) = 1.391 Å, C(2)C(3) = 1.393 Å, C(3)C(4) = 1.400 Å, C(1)C(7) = 1.455 Å, C≡N = 1.159 Å, C(2)H(2) = 1.069 Å, C(3)H(3) = 1.082 Å, C(4)H(4) = 1.081 Å, C(6)C(1)C(2) = 122.5°, C(1)C(2)C(3) = 118.45°, C(2)C(3)C(4) = 120.3°, C(3)C(4)C(5) = 120.0°, C(1)C(2)H(2) = 121.8°, C(4)C(3)H(3) = 119.9°.

Bibliography

Bak, B., Christensen, D., Dixon, W. B., Hansen-Nygaard, L., & Rastrup-Andersen, J. (1962). Benzene Ring Distortion by One Substituent. Microwave Determination of the Complete Structure of Benzonitrile. The Journal of Chemical Physics, 37(9), 2027â2031.

Authors 5

Børge Bak (first)
Daniel Christensen (additional)
William B. Dixon (additional)
Lise Hansen-Nygaard (additional)
John Rastrup-Andersen (additional)

References 14 Referenced 92

{'key': '2024020821122734000_r1', 'first-page': '560', 'volume': '64', 'year': '1960', 'journal-title': 'Z. Elektrochem.'} / Z. Elektrochem. (1960)
10.3891/acta.chem.scand.15-0949 / Acta Chem. Scand. (1961)
{'key': '2024020821122734000_r3'}
10.1063/1.1730044 / J. Chem. Phys. (1959)
{'key': '2024020821122734000_r5', 'first-page': '1152', 'volume': '22', 'year': '1954', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1954)
10.1063/1.1740461 / J. Chem. Phys. (1954)
10.1016/0022-2852(59)90032-3 / J. Mol. Spectroscopy (1959)
10.1119/1.1933338 / Am. J. Phys. (1953)
10.1063/1.1744602 / J. Chem. Phys. (1958)
10.1016/0022-2852(58)90087-0 / J. Mol. Spectroscopy (1958)
10.1063/1.1730364 / J. Chem. Phys. (1959)
10.1063/1.1730543 / J. Chem. Phys. (1959)
{'issue': '3/4', 'key': '2024020821122734000_r13', 'volume': '17', 'year': '1962', 'journal-title': 'Tetrahedron'} / Tetrahedron (1962)
10.1063/1.1732697 / J. Chem. Phys. (1962)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 5, 2005, 10:29 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 4:12 p.m.)
Indexed	1 week, 1 day ago (Aug. 27, 2025, 12:10 p.m.)
Issued	62 years, 10 months ago (Nov. 1, 1962)
Published	62 years, 10 months ago (Nov. 1, 1962)
Published Print	62 years, 10 months ago (Nov. 1, 1962)

Funders 0

None

BibTeX

@article{Bak_1962, title={Benzene Ring Distortion by One Substituent. Microwave Determination of the Complete Structure of Benzonitrile}, volume={37}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1733422}, DOI={10.1063/1.1733422}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bak, Børge and Christensen, Daniel and Dixon, William B. and Hansen-Nygaard, Lise and Rastrup-Andersen, John}, year={1962}, month=nov, pages={2027–2031} }

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