ISSN:
0009-2940
Keywords:
1H-Phosphirenes
;
2H-Phosphirenes
;
Calculations, ab initio
;
Chemistry
;
Inorganic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Ab initio MO calculations at the MP4/6-31G** level show that both fluorine and chlorine atoms exert a strong stabilizing effect on the three-membered ring 1H-phosphirene relative to its isomers. While unsubstituted 1H-phosphirene (12H) is the least stable C2H3P isomer, 1-fluoro-1H-phosphirene (12F) is calculated to be the global minimum of the C2H2FP potential energy surface; 1-chloro-1H-phosphirene (12Cl) is the third most stable of the six C2H2ClP isomers calculated. The remarkable stability of 12F is attributable to the particular strength of the P - F bond.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/cber.19921250425
