کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9589427 | 1393800 | 2005 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Rotational spectrum of cyclohexyl sarin
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Rotational spectrum of cyclohexyl sarin Rotational spectrum of cyclohexyl sarin](/preview/png/9589427.png)
چکیده انگلیسی
The rotational spectrum of cyclohexyl sarin (also known as GF) has been measured in a jet-cooled expansion using Fourier transform microwave spectroscopy. Two spectra have been observed, each having splittings associated with the internal rotation of the CH3P group. The observed V3 barriers are similar in magnitude to those reported for other organophosphonate nerve agents. The two conformational structures of GF have been identified from comparisons of the observed rotational constants and dipole moment magnitudes with ab initio predictions at the MP2/6311GÂ (d,p) level. These two structures are distinguished by the placement of the fluorophosphonate group at the equatorial and axial positions of the cyclohexane ring. The data also suggest that both conformers prefer a positioning of the FP group with the PO oxygen in an eclipsed orientation relative to the C1 hydrogen on the ring.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 231, Issue 1, May 2005, Pages 28-36
Journal: Journal of Molecular Spectroscopy - Volume 231, Issue 1, May 2005, Pages 28-36
نویسندگان
R.D. Suenram, R.S. DaBell, D.F. Plusquellic, M.W. Ellzy, J.M. Lochner, J.O. Jensen, A.C. Samuels,