Vibrational Spectroscopic and X-Ray Single Crystal Diffraction Investigation of Tetra-n-Alkylammonium Hydrogen Selenates
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Vibrational Spectroscopic and X-Ray Single Crystal Diffraction Investigation of Tetra-n-Alkylammonium Hydrogen Selenates
Original language description
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).
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
<a href="/en/project/GA14-05506S" target="_blank" >GA14-05506S: Crystal engineering of novel molecular crystals for non-linear optics</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Crystallography
ISSN
1074-1542
e-ISSN
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Volume of the periodical
47
Issue of the periodical within the volume
3-4
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
59-68
UT code for WoS article
000404770500001
EID of the result in the Scopus database
2-s2.0-85018782575