The shape of the torsional potential energy curves in CH3NO is determined by ab initio calculations on the ground and first excited singlet states. Three-fold barriers are found in both states, the equilibrium conformation being eclipsed in the ground and staggered in the excited state. The main consequences for the interpretation of the electronic spectrum are examined.
Torsional barriers and the electronic spectrum of nitrosomethane
CIMIRAGLIA, Renzo;
1979
Abstract
The shape of the torsional potential energy curves in CH3NO is determined by ab initio calculations on the ground and first excited singlet states. Three-fold barriers are found in both states, the equilibrium conformation being eclipsed in the ground and staggered in the excited state. The main consequences for the interpretation of the electronic spectrum are examined.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in SFERA sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
