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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • 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

  • 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