Singlet cyclobutyne: a relative minimum on the C4H4 potential-energy hypersurface?
نویسندگان
چکیده
منابع مشابه
Electronic effects on singlet-triplet energy splittings in aryl-cyclopentadienylidenes
Energy gaps, AXsar (X=E, H and G) (AX.,.,-=lia,„,,,InrX“dpka,) between single (s) and triplet (I) states werecalculated at B3LTP/6-3 I 1.HO" level of theory. Our results showed that electron donating substituents(G = -NHz, -OH. -CH), -F, -Cl and -Br) at phenyl group cause to increase and electron withdrawingsubstiluents (G -CF2. and -NO:) lead to decrease the singlet-triplet energy gaps of Ar -...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 1983
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja00342a002