FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2625907855> ?p ?o ?g. }

• W2625907855 endingPage "734" @default.
• W2625907855 startingPage "723" @default.
• W2625907855 abstract "Abstract 2-aminoguanidinium 4-methyl benzene sulphonate (AGMS), an organic compound with big assembly of hydrogen bonding interactions was crystallized at room temperature. The structure of the compound was confirmed by FT-IR, NMR and single crystal X-ray diffraction analysis. Numerous hydrogen bonded interactions were found to form supramolecular assemblies in the molecular structure. Fingerprint plots of Hirshfeld surface analysis spells out the interactions in various directions. The molecular structure of AGMS was optimised by HF, MP2 and DFT (B3LYP and CAM-B3LYP) methods at 6-311G (d,p) basis set and the geometrical parameters were compared. Electrostatic potential calculations of the reactants and product confirm the transfer of proton. Optical properties of AGMS were ascertained by UV-Vis absorbance and reflectance spectra. The band gap of AGMS is found to be 2.689 eV. Due to numerous hydrogen bonds, the crystal is thermally stable up to 200 °C. Hyperconjugative interactions which are responsible for the second hyperpolarizabilities were accounted by NBO analysis. Static and frequency dependent optical properties were calculated at HF and DFT methods. The hyperpolarizabilities of AGMS increase rapidly at frequencies 0.0428 and 0.08 a.u. compared to static one. The compound exhibits violet and blue emission." @default.
• W2625907855 created "2017-06-23" @default.
• W2625907855 creator A5018544177 @default.
• W2625907855 creator A5019644117 @default.
• W2625907855 creator A5059169788 @default.
• W2625907855 creator A5071200370 @default.
• W2625907855 creator A5082593026 @default.
• W2625907855 date "2017-10-01" @default.
• W2625907855 modified "2023-09-24" @default.
• W2625907855 title "Hydrogen bonding interactions and supramolecular assemblies in 2-amino guanidinium 4-methyl benzene sulphonate crystal structure: Hirshfeld surfaces and computational calculations" @default.
• W2625907855 cites W1748366747 @default.
• W2625907855 cites W1969360633 @default.
• W2625907855 cites W1969758370 @default.
• W2625907855 cites W1992672730 @default.
• W2625907855 cites W1997018014 @default.
• W2625907855 cites W2007068681 @default.
• W2625907855 cites W2007704449 @default.
• W2625907855 cites W2013176211 @default.
• W2625907855 cites W2026552872 @default.
• W2625907855 cites W2027084591 @default.
• W2625907855 cites W2036122330 @default.
• W2625907855 cites W2048502083 @default.
• W2625907855 cites W2062852634 @default.
• W2625907855 cites W2066780127 @default.
• W2625907855 cites W2074411686 @default.
• W2625907855 cites W2075730114 @default.
• W2625907855 cites W2083905668 @default.
• W2625907855 cites W2084956306 @default.
• W2625907855 cites W2086945873 @default.
• W2625907855 cites W2086957099 @default.
• W2625907855 cites W2089870509 @default.
• W2625907855 cites W2091736255 @default.
• W2625907855 cites W2119060556 @default.
• W2625907855 cites W2131350133 @default.
• W2625907855 cites W2151334055 @default.
• W2625907855 cites W2170309222 @default.
• W2625907855 cites W2238635092 @default.
• W2625907855 cites W2327450058 @default.
• W2625907855 cites W2406375068 @default.
• W2625907855 cites W2460866625 @default.
• W2625907855 cites W2510572976 @default.
• W2625907855 cites W2511695649 @default.
• W2625907855 cites W2564514711 @default.
• W2625907855 cites W2587919673 @default.
• W2625907855 doi "https://doi.org/10.1016/j.molstruc.2017.06.055" @default.
• W2625907855 hasPublicationYear "2017" @default.
• W2625907855 type Work @default.
• W2625907855 sameAs 2625907855 @default.
• W2625907855 citedByCount "33" @default.
• W2625907855 countsByYear W26259078552017 @default.
• W2625907855 countsByYear W26259078552018 @default.
• W2625907855 countsByYear W26259078552019 @default.
• W2625907855 countsByYear W26259078552020 @default.
• W2625907855 countsByYear W26259078552021 @default.
• W2625907855 countsByYear W26259078552022 @default.
• W2625907855 countsByYear W26259078552023 @default.
• W2625907855 crossrefType "journal-article" @default.
• W2625907855 hasAuthorship W2625907855A5018544177 @default.
• W2625907855 hasAuthorship W2625907855A5019644117 @default.
• W2625907855 hasAuthorship W2625907855A5059169788 @default.
• W2625907855 hasAuthorship W2625907855A5071200370 @default.
• W2625907855 hasAuthorship W2625907855A5082593026 @default.
• W2625907855 hasConcept C112887158 @default.
• W2625907855 hasConcept C115624301 @default.
• W2625907855 hasConcept C178790620 @default.
• W2625907855 hasConcept C185592680 @default.
• W2625907855 hasConcept C192406513 @default.
• W2625907855 hasConcept C2777691172 @default.
• W2625907855 hasConcept C32909587 @default.
• W2625907855 hasConcept C8010536 @default.
• W2625907855 hasConcept C93275456 @default.
• W2625907855 hasConceptScore W2625907855C112887158 @default.
• W2625907855 hasConceptScore W2625907855C115624301 @default.
• W2625907855 hasConceptScore W2625907855C178790620 @default.
• W2625907855 hasConceptScore W2625907855C185592680 @default.
• W2625907855 hasConceptScore W2625907855C192406513 @default.
• W2625907855 hasConceptScore W2625907855C2777691172 @default.
• W2625907855 hasConceptScore W2625907855C32909587 @default.
• W2625907855 hasConceptScore W2625907855C8010536 @default.
• W2625907855 hasConceptScore W2625907855C93275456 @default.
• W2625907855 hasFunder F4320320767 @default.
• W2625907855 hasLocation W26259078551 @default.
• W2625907855 hasOpenAccess W2625907855 @default.
• W2625907855 hasPrimaryLocation W26259078551 @default.
• W2625907855 hasRelatedWork W1968298501 @default.
• W2625907855 hasRelatedWork W1987208176 @default.
• W2625907855 hasRelatedWork W1998082868 @default.
• W2625907855 hasRelatedWork W2045274391 @default.
• W2625907855 hasRelatedWork W2071137538 @default.
• W2625907855 hasRelatedWork W2159035268 @default.
• W2625907855 hasRelatedWork W2605412129 @default.
• W2625907855 hasRelatedWork W3039340172 @default.
• W2625907855 hasRelatedWork W3148323916 @default.
• W2625907855 hasRelatedWork W386843376 @default.
• W2625907855 hasVolume "1146" @default.
• W2625907855 isParatext "false" @default.
• W2625907855 isRetracted "false" @default.
• W2625907855 magId "2625907855" @default.

• next