DSpace Arşivi :: by Yazar "Nemec, Ivan" değerine göre listeleniyor

Listeleniyor 1 - 1 / 1

Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on A Promising Polarizable Cation
(Springer/Plenum Publishers, 2012) Fridrichova, Michaela; Nemec, Ivan; Cisarova, Ivana; Tesarova, Nad'a; Nemec, Petr; Karakaş, Aslı; Kahraman, Nihal; Taşer, Mehmet
The chloride and l-tartrate salts of the 2,4-diaminoquinazolinium(1+) were prepared and characterized by both X-ray diffraction and infrared spectroscopy. The potential of the 2,4-diaminoquinazolinium(1+) cation as a building block for materials for nonlinear optics was assessed using quantum mechanical computations. Both 2,4-diaminoquinazolinium(1+) chloride dihydrate (a = 7.2121(1) , b = 8.0105(2) , c = 18.6157(5) , beta = 92.493(1)A degrees, V = 1074.46(4) (3), Z = 4, R = 0.0305 for 4605 observed reflections) and 2,4-diaminoquinazolinium(1+) l-tartrate dihydrate (a = 7.2899(2) , b = 11.9508(2) , c = 13.4183(3) , beta = 92.375(2)A degrees, V = 1168.00(5) (3), Z = 2, R = 0.0367 for 4761 observed reflections) belong to the monoclinic space group P2(1). They are stable, non-hygroscopic, colorless and exhibit non-zero SHG efficiency for powdered samples. Two novel non-centrosymmetric salts of 2,4-diaminoquinazolinium(1+) were prepared and thoroughly characterized during the search for materials for the second harmonic generation.