pyrimidinones and ethylene

pyrimidinones has been researched along with ethylene* in 2 studies

Other Studies

2 other study(ies) available for pyrimidinones and ethylene

Article	Year
In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches. Physical chemistry chemical physics : PCCP, 2008, Nov-07, Volume: 10, Issue:41 Time-dependent Hartree-Fock and Møller-Plesset second-order calculations have been used to unravel the relationships between structure and first hyperpolarizability in spiropyran/merocyanine couples and therefore to design efficient second-order nonlinear optical switching compounds. Large first hyperpolarizabilities for the merocyanine form as well as large contrasts of first hyperpolarizability have been obtained when, on the same species, (i) substituents at R(1) and R(2) positions on the phenolate ring of the merocyanine form are strong acceptor and donor substituents, respectively, (ii) the ethylenic bridge is substituted by donor groups, (iii) the other aromatic part of the system is benzimidazolo rather than indolino or benzothiazolo, and (iv) strong donor substituents are placed on the benzimidazolo moiety. Topics: Benzimidazoles; Benzopyrans; Ethylenes; Indoles; Kinetics; Models, Chemical; Models, Molecular; Molecular Conformation; Molecular Structure; Nitro Compounds; Nonlinear Dynamics; Pyrimidinones; Quantum Theory; Structure-Activity Relationship	2008
A practical and green approach toward synthesis of N3-substituted dihydropyrimidinones: using Aza-Michael addition reaction catalyzed by KF/Al2O3. Bioorganic & medicinal chemistry letters, 2006, Sep-01, Volume: 16, Issue:17 A simple and efficient method for the synthesis of N3-substituted 3,4-dihydropyrimidinones by aza-Michael addition reactions of 3,4-dihydropyrimidinones to alpha,beta-ethylenic compounds catalyzed by KF/Al(2)O(3) is described. The advantage of this method is high regioselectivity, high purity, and the use of a cheaper, milder, and efficient catalyst for the hetero-Michael addition reaction. Topics: Aluminum Oxide; Aza Compounds; Catalysis; Ethylenes; Fluorides; Hydrogen; Magnetic Resonance Spectroscopy; Models, Molecular; Molecular Structure; Potassium Compounds; Pyrimidinones	2006

Article

Year

In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches.

Physical chemistry chemical physics : PCCP, 2008, Nov-07, Volume: 10, Issue:41

Time-dependent Hartree-Fock and Møller-Plesset second-order calculations have been used to unravel the relationships between structure and first hyperpolarizability in spiropyran/merocyanine couples and therefore to design efficient second-order nonlinear optical switching compounds. Large first hyperpolarizabilities for the merocyanine form as well as large contrasts of first hyperpolarizability have been obtained when, on the same species, (i) substituents at R(1) and R(2) positions on the phenolate ring of the merocyanine form are strong acceptor and donor substituents, respectively, (ii) the ethylenic bridge is substituted by donor groups, (iii) the other aromatic part of the system is benzimidazolo rather than indolino or benzothiazolo, and (iv) strong donor substituents are placed on the benzimidazolo moiety.

Topics: Benzimidazoles; Benzopyrans; Ethylenes; Indoles; Kinetics; Models, Chemical; Models, Molecular; Molecular Conformation; Molecular Structure; Nitro Compounds; Nonlinear Dynamics; Pyrimidinones; Quantum Theory; Structure-Activity Relationship

2008

A practical and green approach toward synthesis of N3-substituted dihydropyrimidinones: using Aza-Michael addition reaction catalyzed by KF/Al2O3.

Bioorganic & medicinal chemistry letters, 2006, Sep-01, Volume: 16, Issue:17

A simple and efficient method for the synthesis of N3-substituted 3,4-dihydropyrimidinones by aza-Michael addition reactions of 3,4-dihydropyrimidinones to alpha,beta-ethylenic compounds catalyzed by KF/Al(2)O(3) is described. The advantage of this method is high regioselectivity, high purity, and the use of a cheaper, milder, and efficient catalyst for the hetero-Michael addition reaction.

Topics: Aluminum Oxide; Aza Compounds; Catalysis; Ethylenes; Fluorides; Hydrogen; Magnetic Resonance Spectroscopy; Models, Molecular; Molecular Structure; Potassium Compounds; Pyrimidinones

2006