Vibrational Spectroscopic and X-Ray Single Crystal Diffraction Investigation of Tetra-n-Alkylammonium Hydrogen Selenates

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F17%3A10361046" target="_blank" >RIV/00216208:11310/17:10361046 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s10870-017-0680-4" target="_blank" >http://dx.doi.org/10.1007/s10870-017-0680-4</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10870-017-0680-4" target="_blank" >10.1007/s10870-017-0680-4</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Vibrational Spectroscopic and X-Ray Single Crystal Diffraction Investigation of Tetra-n-Alkylammonium Hydrogen Selenates

Popis výsledku v původním jazyce

Two novel semi-organic salts of tetra-n-propylammonium (1+) and tetra-n-butylammonium (1+) hydrogen selenate have been prepared and characterised. Tetra-n-propylammonium (1+) hydrogen selenate (a = 15.7949(6) , b = 15.3876(6) , c = 40.4384(17) , V = 9828.4(7) (3), Z = 8 for 8775 observed reflections) and tetra-n-butylammonium (1+) hydrogen selenate (a = 15.0870(3) , b = 15.3380(4) , c = 17.4750(4) , V = 4043.79(16) (3), Z = 8, R = 0.0432 for 3335 observed reflections) crystallise in the centrosymmetric space groups Pbcn and Pccn of the orthorhombic system, respectively. Both salts were also characterised by the methods of vibrational spectroscopy (IR and Raman). The interpretation of the vibrational spectra is based on ab initio calculations of the isolated cations. The crystal structure of the third analogous compound, tetra-n-ethylammonium(1+) hydrogen selenate was redetermined at 150 K (a = 8.2109(17) , b = 9.072(2) , c = 9.431(3) , alpha = 77.13(3)A, beta = 74.43(2)A, gamma = 63.62(3)A, V = 601.89(3) (3), Z = 2, R = 0.0167 for 2237 observed reflections). This compound crystallises in centrosymmetric space group P-1 of the triclinic system and was previously studied only at room temperature. The preparation and detailed characterisation (using the combination of diffraction and spectroscopic methods) of salts of tetra-n-alkylammonium hydrogen selenates (alkyl = propyl, butyl).

Název v anglickém jazyce

Vibrational Spectroscopic and X-Ray Single Crystal Diffraction Investigation of Tetra-n-Alkylammonium Hydrogen Selenates

Popis výsledku anglicky

Two novel semi-organic salts of tetra-n-propylammonium (1+) and tetra-n-butylammonium (1+) hydrogen selenate have been prepared and characterised. Tetra-n-propylammonium (1+) hydrogen selenate (a = 15.7949(6) , b = 15.3876(6) , c = 40.4384(17) , V = 9828.4(7) (3), Z = 8 for 8775 observed reflections) and tetra-n-butylammonium (1+) hydrogen selenate (a = 15.0870(3) , b = 15.3380(4) , c = 17.4750(4) , V = 4043.79(16) (3), Z = 8, R = 0.0432 for 3335 observed reflections) crystallise in the centrosymmetric space groups Pbcn and Pccn of the orthorhombic system, respectively. Both salts were also characterised by the methods of vibrational spectroscopy (IR and Raman). The interpretation of the vibrational spectra is based on ab initio calculations of the isolated cations. The crystal structure of the third analogous compound, tetra-n-ethylammonium(1+) hydrogen selenate was redetermined at 150 K (a = 8.2109(17) , b = 9.072(2) , c = 9.431(3) , alpha = 77.13(3)A, beta = 74.43(2)A, gamma = 63.62(3)A, V = 601.89(3) (3), Z = 2, R = 0.0167 for 2237 observed reflections). This compound crystallises in centrosymmetric space group P-1 of the triclinic system and was previously studied only at room temperature. The preparation and detailed characterisation (using the combination of diffraction and spectroscopic methods) of salts of tetra-n-alkylammonium hydrogen selenates (alkyl = propyl, butyl).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/GA14-05506S" target="_blank" >GA14-05506S: Krystalové inženýrství nových molekulárních krystalů pro nelineární optiku</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

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

47

Číslo periodika v rámci svazku

3-4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

59-68

Kód UT WoS článku

000404770500001

EID výsledku v databázi Scopus

2-s2.0-85018782575