Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on A Promising Polarizable Cation
Yükleniyor...
Dosyalar
Tarih
2012
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer/Plenum Publishers
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
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.
Açıklama
Anahtar Kelimeler
Nonlinear optics, Second harmonic generation, Hyperpolarizability, Ab initio calculation, Non-centrosymmetric assembly, 2,4-diaminoquinazoline
Kaynak
Journal of Chemical Crystallography
WoS Q Değeri
Q4
Scopus Q Değeri
Q4
Cilt
42
Sayı
8
Künye
Fridrichova, M., Nemec, I., Cisarova, I., Tesarova, N., Nemec, P., Karakaş, A., Kahraman, N., Taşer, M., (2012). Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on A Promising Polarizable Cation. Journal of Chemical Crystallography, 42(8), 809-815. DOİ 10.1007/s10870-012-0318-5
