Matches in SemOpenAlex for { <https://semopenalex.org/work/W4308584900> ?p ?o ?g. }
- W4308584900 abstract "Abstract Crystals of penta(carboxymethyl)diethylenetriamine have been structurally characterized through single‐crystal X‐ray diffraction analysis. X‐ray diffraction analysis reveals that various non‐covalent interactions combine to determine the crystal packing and final solid‐state supramolecular assembling behavior. The title compound exhibited various 2D supramolecular networks generated through O−H⋅⋅⋅O and C−H⋅⋅⋅O interactions. The C−H⋅⋅⋅O interactions are pivotal in building a two‐dimensional framework, whose formation is readily analyzed with zero‐dimensional centrosymmetric dimeric rings as building blocks within the structure. All the intermolecular interactions are quantified through Hirshfeld surface analysis and fingerprint plots. Energy frameworks are constructed to analyze the dominant interaction energy involved in molecular packing strength. Bader's quantum theory of “atoms‐in‐molecules” (QTAIM) has been used to analyze and characterize non‐covalent interactions. The QTAIM analysis validates the existence of hydrogen bonding contacts, and the topological properties of bond critical points (BCPs), such as the electron density ρ(r) and its Laplacian ∇ 2 ρ(r), are presented to correlate with the interaction energy. The topological analysis revealed that all of the interactions are closed‐shell interactions. Finally, the “Non‐covalent Interaction” (NCI) plot index illustrates the solid‐state supramolecular networks." @default.
- W4308584900 created "2022-11-12" @default.
- W4308584900 creator A5032115015 @default.
- W4308584900 creator A5039082179 @default.
- W4308584900 creator A5061078169 @default.
- W4308584900 creator A5069201295 @default.
- W4308584900 creator A5082269253 @default.
- W4308584900 date "2022-11-08" @default.
- W4308584900 modified "2023-10-14" @default.
- W4308584900 title "Exploring Solid‐State Supramolecular Architectures of Penta(carboxymethyl)diethylenetriamine: Experimental Observation and Theoretical Studies" @default.
- W4308584900 cites W1905183855 @default.
- W4308584900 cites W1966949133 @default.
- W4308584900 cites W1968339413 @default.
- W4308584900 cites W1969227861 @default.
- W4308584900 cites W1969360633 @default.
- W4308584900 cites W1978092515 @default.
- W4308584900 cites W1989792857 @default.
- W4308584900 cites W1990170643 @default.
- W4308584900 cites W1992642111 @default.
- W4308584900 cites W2010586979 @default.
- W4308584900 cites W2013176211 @default.
- W4308584900 cites W2013879277 @default.
- W4308584900 cites W2021231828 @default.
- W4308584900 cites W2024495825 @default.
- W4308584900 cites W2033724920 @default.
- W4308584900 cites W2033841555 @default.
- W4308584900 cites W2051469879 @default.
- W4308584900 cites W2054759209 @default.
- W4308584900 cites W2056974723 @default.
- W4308584900 cites W2068823047 @default.
- W4308584900 cites W2079276084 @default.
- W4308584900 cites W2101298197 @default.
- W4308584900 cites W2104919283 @default.
- W4308584900 cites W2107363858 @default.
- W4308584900 cites W2119060556 @default.
- W4308584900 cites W2128465629 @default.
- W4308584900 cites W2131350133 @default.
- W4308584900 cites W2140992384 @default.
- W4308584900 cites W2152207101 @default.
- W4308584900 cites W2166689829 @default.
- W4308584900 cites W2282028753 @default.
- W4308584900 cites W2297103429 @default.
- W4308584900 cites W2312599638 @default.
- W4308584900 cites W2314613913 @default.
- W4308584900 cites W2328624167 @default.
- W4308584900 cites W2330525716 @default.
- W4308584900 cites W2334484395 @default.
- W4308584900 cites W2434098411 @default.
- W4308584900 cites W2583008333 @default.
- W4308584900 cites W2729342091 @default.
- W4308584900 cites W2790543172 @default.
- W4308584900 cites W2790756594 @default.
- W4308584900 cites W2792764440 @default.
- W4308584900 cites W2800187943 @default.
- W4308584900 cites W2800985521 @default.
- W4308584900 cites W2808716761 @default.
- W4308584900 cites W2887651360 @default.
- W4308584900 cites W2901618623 @default.
- W4308584900 cites W2902189499 @default.
- W4308584900 cites W2909415328 @default.
- W4308584900 cites W2913838502 @default.
- W4308584900 cites W2914056669 @default.
- W4308584900 cites W2920150624 @default.
- W4308584900 cites W2936700680 @default.
- W4308584900 cites W2961628543 @default.
- W4308584900 cites W2991492954 @default.
- W4308584900 cites W2995806052 @default.
- W4308584900 cites W3020669461 @default.
- W4308584900 cites W3087656816 @default.
- W4308584900 cites W3092917540 @default.
- W4308584900 cites W3120517442 @default.
- W4308584900 cites W3153273533 @default.
- W4308584900 cites W4280508441 @default.
- W4308584900 cites W4281491763 @default.
- W4308584900 cites W4285012363 @default.
- W4308584900 cites W837262540 @default.
- W4308584900 doi "https://doi.org/10.1002/slct.202203396" @default.
- W4308584900 hasPublicationYear "2022" @default.
- W4308584900 type Work @default.
- W4308584900 citedByCount "4" @default.
- W4308584900 countsByYear W43085849002023 @default.
- W4308584900 crossrefType "journal-article" @default.
- W4308584900 hasAuthorship W4308584900A5032115015 @default.
- W4308584900 hasAuthorship W4308584900A5039082179 @default.
- W4308584900 hasAuthorship W4308584900A5061078169 @default.
- W4308584900 hasAuthorship W4308584900A5069201295 @default.
- W4308584900 hasAuthorship W4308584900A5082269253 @default.
- W4308584900 hasConcept C112887158 @default.
- W4308584900 hasConcept C115624301 @default.
- W4308584900 hasConcept C137277065 @default.
- W4308584900 hasConcept C159467904 @default.
- W4308584900 hasConcept C166950319 @default.
- W4308584900 hasConcept C178790620 @default.
- W4308584900 hasConcept C180577832 @default.
- W4308584900 hasConcept C185592680 @default.
- W4308584900 hasConcept C192406513 @default.
- W4308584900 hasConcept C192562407 @default.
- W4308584900 hasConcept C22499117 @default.
- W4308584900 hasConcept C32909587 @default.
- W4308584900 hasConcept C5716244 @default.