Article ID Journal Published Year Pages File Type
5374067 Chemical Physics 2013 12 Pages PDF
Abstract
► Forty-four transitions for the more stable Eqt-trans conformer were assigned. ► Rotational constants are determined: A = 3546.9 (3), B = 936.12 (1) and C = 839.06 (1) MHz. ► A complete r0 structural parameter has been reported. ► ΔH of 397 ± 40 cm−1 has been determined between the Eqt-trans and Axial-trans form.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Microwave, infrared, and Raman spectra, r0 structural parameters, conformational stability and ab initio calculations of cyclohexylisocyanate
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