Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9591372 | Journal of Molecular Structure: THEOCHEM | 2005 | 8 Pages |
Abstract
Configurational and conformational analysis were performed using ab initio and semi-empirical molecular orbital methods in order to obtain structural, electronic and energetic information about three previously synthesized imidazolidine derivatives, namely: 3-benzyl-5-benzylidene-imidazolidine-2,4-dione (5), 3-benzyl-5-benzylidene-2-thioxo-imidazolidine-4-one (6), 5-benzylidene-3-(2-oxo-2-phenyl-ethyl)-2-thioxo-imidazolidine-4-one (7) and other two new proposed imidazolidine derivatives: 3-benzyl-5-benzylidene-4-thioxo-imidazolidine-2-one (8) and 3-benzyl-5-benzylidene-imidazolidine-2,4-dithione (9). Important aspects related to structure activity relationship are highlighted.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Marcus V.P. Santos, Mário R. Junior, Silvânia M. Oliveira, João Bosco P. da Silva, Maria Tereza C. Lima, Maria C.A. Lima, Suely L. Galdino, Ivan R. Pitta,