Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F16%3A00466092" target="_blank" >RIV/61389013:_____/16:00466092 - isvavai.cz</a>

Alternative codes found

RIV/00216208:11320/16:10330456 RIV/00216275:25310/16:39901574

Result on the web

<a href="http://dx.doi.org/10.1007/s00894-016-3014-0" target="_blank" >http://dx.doi.org/10.1007/s00894-016-3014-0</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s00894-016-3014-0" target="_blank" >10.1007/s00894-016-3014-0</a>

Result language

angličtina

Original language name

Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods

Original language description

Strontium phenylphosphonate intercalates with 1,2-diols (from 1,2-ethanediol to 1,2-hexanediol) were synthesized and characterized by X-ray diffraction, thermogravimetry, chemical analysis, and molecular simulation methods. Coordination of the oxygen atoms of the diols to the strontium atoms of the host follows the same pattern for all 1,2-diol intercalates except the 1,2-hexanediol intercalate, where these oxygen atoms can be mutually exchanged at their positions. The calculated basal spacings and structural models are in good agreement with experimental basal spacings obtained from X-ray powder diffraction and with other experimental results.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CA - Inorganic chemistry

OECD FORD branch

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Project

<a href="/en/project/GA14-13368S" target="_blank" >GA14-13368S: 2D structures based on metal phosphonates: relationships between arrangement and properties studied by experimental and calculation methods</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

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

Name of the periodical

Journal of Molecular Modeling

ISSN

1610-2940

e-ISSN

—

Volume of the periodical

22

Issue of the periodical within the volume

6

Country of publishing house

US - UNITED STATES

Number of pages

9

Pages from-to

1-9

UT code for WoS article

000377374500025

EID of the result in the Scopus database

2-s2.0-84975090406