Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on a Promising Polarizable Cation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F12%3A10126371" target="_blank" >RIV/00216208:11320/12:10126371 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11310/12:10126371

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s10870-012-0318-5" target="_blank" >http://dx.doi.org/10.1007/s10870-012-0318-5</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10870-012-0318-5" target="_blank" >10.1007/s10870-012-0318-5</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on a Promising Polarizable Cation

Popis výsledku v původním jazyce

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 ma

Název v anglickém jazyce

Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on a Promising Polarizable Cation

Popis výsledku anglicky

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 ma

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

<a href="/cs/project/GA203%2F09%2F0878" target="_blank" >GA203/09/0878: Krystalové inženýrství materiálů s vodíkovými vazbami pro nelineární optiku</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Crystallography

ISSN

1074-1542

e-ISSN

—

Svazek periodika

42

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

7

Strana od-do

809-815

Kód UT WoS článku

000306570800005

EID výsledku v databázi Scopus

—