FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2413443837> ?p ?o ?g. }

• W2413443837 endingPage "7336" @default.
• W2413443837 startingPage "7328" @default.
• W2413443837 abstract "Simulations of H2 sorption were performed in a metal-organic framework (MOF) consisting of Zn(2+) ions coordinated to 1,2,4-triazole and tetrafluoroterephthalate ligands (denoted [Zn(trz)(tftph)] in this work). The simulated H2 sorption isotherms reported in this work are consistent with the experimental data for the state points considered. The experimental H2 isosteric heat of adsorption (Qst) values for this MOF are approximately 8.0 kJ mol(-1) for the considered loading range, which is in the proximity of those determined from simulation. The experimental inelastic neutron scattering (INS) spectra for H2 in [Zn(trz)(tftph)] reveal at least two peaks that occur at low energies, which corresponds to high barriers to rotation for the respective sites. The most favorable sorption site in the MOF was identified from the simulations as sorption in the vicinity of a metal-coordinated H2O molecule, an exposed fluorine atom, and a carboxylate oxygen atom in a confined region in the framework. Secondary sorption was observed between the fluorine atoms of adjacent tetrafluoroterephthalate ligands. The H2 molecule at the primary sorption site in [Zn(trz)(tftph)] exhibits a rotational barrier that exceeds that for most neutral MOFs with open-metal sites according to an empirical phenomenological model, and this was further validated by calculating the rotational potential energy surface for H2 at this site." @default.
• W2413443837 created "2016-06-24" @default.
• W2413443837 creator A5018821730 @default.
• W2413443837 creator A5021532075 @default.
• W2413443837 creator A5022312011 @default.
• W2413443837 creator A5031860693 @default.
• W2413443837 creator A5036403019 @default.
• W2413443837 creator A5038539164 @default.
• W2413443837 creator A5039618997 @default.
• W2413443837 creator A5082459401 @default.
• W2413443837 date "2015-06-24" @default.
• W2413443837 modified "2023-09-23" @default.
• W2413443837 title "Investigating H₂ Sorption in a Fluorinated Metal–Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering" @default.
• W2413443837 cites W1971271635 @default.
• W2413443837 cites W1972673502 @default.
• W2413443837 cites W1974864818 @default.
• W2413443837 cites W1979029214 @default.
• W2413443837 cites W1983286571 @default.
• W2413443837 cites W1984732774 @default.
• W2413443837 cites W1986045215 @default.
• W2413443837 cites W1999908724 @default.
• W2413443837 cites W2007933974 @default.
• W2413443837 cites W2008703839 @default.
• W2413443837 cites W2010328792 @default.
• W2413443837 cites W2012188583 @default.
• W2413443837 cites W2014887438 @default.
• W2413443837 cites W2020414767 @default.
• W2413443837 cites W2021352061 @default.
• W2413443837 cites W2032090207 @default.
• W2413443837 cites W2034328318 @default.
• W2413443837 cites W2037244678 @default.
• W2413443837 cites W2038040645 @default.
• W2413443837 cites W2039691813 @default.
• W2413443837 cites W2044656489 @default.
• W2413443837 cites W2051564936 @default.
• W2413443837 cites W2054817589 @default.
• W2413443837 cites W2060411961 @default.
• W2413443837 cites W2063716026 @default.
• W2413443837 cites W2067297566 @default.
• W2413443837 cites W2070540039 @default.
• W2413443837 cites W2076939671 @default.
• W2413443837 cites W2077599435 @default.
• W2413443837 cites W2078118504 @default.
• W2413443837 cites W2078208776 @default.
• W2413443837 cites W2079819807 @default.
• W2413443837 cites W2086593157 @default.
• W2413443837 cites W2101417375 @default.
• W2413443837 cites W2110300847 @default.
• W2413443837 cites W2110512356 @default.
• W2413443837 cites W2111088791 @default.
• W2413443837 cites W2117072882 @default.
• W2413443837 cites W2120680952 @default.
• W2413443837 cites W2126026588 @default.
• W2413443837 cites W2133510196 @default.
• W2413443837 cites W2141939342 @default.
• W2413443837 cites W2142574765 @default.
• W2413443837 cites W2143516819 @default.
• W2413443837 cites W2149272922 @default.
• W2413443837 cites W2153950883 @default.
• W2413443837 cites W2159598063 @default.
• W2413443837 cites W2318356194 @default.
• W2413443837 cites W2318655974 @default.
• W2413443837 cites W2322405345 @default.
• W2413443837 cites W2333122057 @default.
• W2413443837 cites W2891670902 @default.
• W2413443837 cites W2950580013 @default.
• W2413443837 cites W3143879557 @default.
• W2413443837 cites W4245449618 @default.
• W2413443837 doi "https://doi.org/10.1021/acs.langmuir.5b01664" @default.
• W2413443837 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26083895" @default.
• W2413443837 hasPublicationYear "2015" @default.
• W2413443837 type Work @default.
• W2413443837 sameAs 2413443837 @default.
• W2413443837 citedByCount "26" @default.
• W2413443837 countsByYear W24134438372015 @default.
• W2413443837 countsByYear W24134438372016 @default.
• W2413443837 countsByYear W24134438372017 @default.
• W2413443837 countsByYear W24134438372018 @default.
• W2413443837 countsByYear W24134438372019 @default.
• W2413443837 countsByYear W24134438372020 @default.
• W2413443837 countsByYear W24134438372021 @default.
• W2413443837 countsByYear W24134438372022 @default.
• W2413443837 countsByYear W24134438372023 @default.
• W2413443837 crossrefType "journal-article" @default.
• W2413443837 hasAuthorship W2413443837A5018821730 @default.
• W2413443837 hasAuthorship W2413443837A5021532075 @default.
• W2413443837 hasAuthorship W2413443837A5022312011 @default.
• W2413443837 hasAuthorship W2413443837A5031860693 @default.
• W2413443837 hasAuthorship W2413443837A5036403019 @default.
• W2413443837 hasAuthorship W2413443837A5038539164 @default.
• W2413443837 hasAuthorship W2413443837A5039618997 @default.
• W2413443837 hasAuthorship W2413443837A5082459401 @default.
• W2413443837 hasConcept C104015590 @default.
• W2413443837 hasConcept C113196181 @default.
• W2413443837 hasConcept C120665830 @default.
• W2413443837 hasConcept C121332964 @default.
• W2413443837 hasConcept C147789679 @default.
• W2413443837 hasConcept C150394285 @default.

• next