Rotational Isomerism and Microwave Spectroscopy. II. The Microwave Spectrum of Butyronitrile

1962 ◽  
Vol 37 (12) ◽  
pp. 2918-2920 ◽  
Author(s):  
Eizi Hirota
Keyword(s):  
Microwave Spectroscopy ◽  
Microwave Spectrum ◽  
Rotational Isomerism

The Microwave Spectrum of Oxazole I. The Complete Structure by DRM Microwave Spectroscopy

1978 ◽  
Vol 33 (2) ◽  
pp. 145-152 ◽  
Author(s):  
Anil Kumar ◽  
John Sheridan ◽  
Otto L. Stiefvater
Keyword(s):  
Double Resonance ◽  
Microwave Spectroscopy ◽  
Microwave Spectrum ◽  
Structure Parameters ◽  
Complete Structure ◽  
Isotopic Species ◽  
Related Compounds

Double resonance modulation (DRM) microwave spectroscopy has been used to determine the complete substitution structure of oxazole. Isotopic species spectra associated with 13C, 15N and 18O were studied in their natural abundances, while the mono-deuterated species were examined in a mixture of slightly enriched forms. With uncertainties below 0.002 Å and 0.1° for distances and angles, respectively, the structure parameters of oxazole are as follows: 0(1)-C(2) = 1.3574 Å C(5)0(1)C(2) = 103.91° C(2)-N(3) = 1.2915 Å O(1)C(2)N(3) = 114.99° N(3)-C(4) = 1.3954 Å C(2)N(3)C(4) = 103.92° C(4)-C(5) = 1.3525 Å N(3)C(4)C(5) = 109.04° C(5)-O(1) = 1.3696 Å C(4)C(5)0(1) = 1O8.I4° C(2)-H(2) = 1.0750 Å O(1)C(2)H(2) = 117.09° C(4)-H(4) = 1.0751 Å N(3)C(4)H(4) = 121.89° C(5)-H(5) = 1.0732 Å O(1)C(5)H(5) = 116.86° The geometry of oxazole is compared with that of isoxazole and with the structures of the closely related compounds furan and 1,3,4-oxadiazole.

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