FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387233067> ?p ?o ?g. }

• W4387233067 endingPage "111537" @default.
• W4387233067 startingPage "111537" @default.
• W4387233067 abstract "A new [Co(SCN)4]·2(C5H14N2)·2(CNS), synthesized from a thiocyanic cobalt precursor and homopiperazinium organic cation in EtOH under hot and basic conditions. X-ray diffraction DATA showed that the compound is composed of one Co cation, located on a center of inversion and four thiocyanates anion, and two homopiperazinium co-ligands add to two thiocyanate ions crystallographically independent in a monoclinic unit cell with P21/c space group. N-H∙∙∙S and N-H∙∙∙N interactions form a distinctive ring–like pattern that links units in crystal packing. This work demonstrates an easy fabrication of a new compound with excellent dielectric properties. Additionally, Fourier Transform Infrared (FT-IR) spectroscopy studies the different functional groups. The dielectric study shows that the developed material has a huge dielectric constant εr≈1010. The resulting material also exhibits a reasonably low loss (tang δ < 1) at low frequencies. Hirshfeld surface (HS) was carried out to study the elemental contact of molecules in crystal packing. Theoretical investigations were performed by using DFT-B3LYP functional. The frontier molecular orbital (FMO) and natural bonding orbitals (NBO) analysis are evident for excellent reactivity and charge transfer within the complex. The global reactivity descriptors were calculated to get deep insight into the reactivity and electronic properties of the complex. For the optical and nonlinear optical (NLO) properties, the static polarizability (αo) and hyperpolarizability (βo) were calculated at the same method. The observed remarkable βo value of 58737.93 au is indicating its excellent NLO properties." @default.
• W4387233067 created "2023-10-02" @default.
• W4387233067 creator A5010408747 @default.
• W4387233067 creator A5028013109 @default.
• W4387233067 creator A5060882415 @default.
• W4387233067 creator A5061062562 @default.
• W4387233067 creator A5066627362 @default.
• W4387233067 creator A5088887397 @default.
• W4387233067 date "2023-12-01" @default.
• W4387233067 modified "2023-10-06" @default.
• W4387233067 title "Insight into a novel Cobalt complex with promising Electric Energy Stocker properties: A combined DFT and experimental study" @default.
• W4387233067 cites W1763859401 @default.
• W4387233067 cites W1963778570 @default.
• W4387233067 cites W1966858105 @default.
• W4387233067 cites W1971558646 @default.
• W4387233067 cites W1983796144 @default.
• W4387233067 cites W1990170643 @default.
• W4387233067 cites W2013899845 @default.
• W4387233067 cites W2031596719 @default.
• W4387233067 cites W2032408254 @default.
• W4387233067 cites W2038940092 @default.
• W4387233067 cites W2053328406 @default.
• W4387233067 cites W2055486200 @default.
• W4387233067 cites W2064909561 @default.
• W4387233067 cites W2071979123 @default.
• W4387233067 cites W2090337861 @default.
• W4387233067 cites W2098069903 @default.
• W4387233067 cites W2127696316 @default.
• W4387233067 cites W2131350133 @default.
• W4387233067 cites W2132216432 @default.
• W4387233067 cites W2132525235 @default.
• W4387233067 cites W2142841029 @default.
• W4387233067 cites W2150680193 @default.
• W4387233067 cites W2299343972 @default.
• W4387233067 cites W2534966425 @default.
• W4387233067 cites W2800092053 @default.
• W4387233067 cites W2877352857 @default.
• W4387233067 cites W2889951788 @default.
• W4387233067 cites W2921885242 @default.
• W4387233067 cites W2940527951 @default.
• W4387233067 cites W2950806729 @default.
• W4387233067 cites W2962287655 @default.
• W4387233067 cites W3009793797 @default.
• W4387233067 cites W3011591923 @default.
• W4387233067 cites W3091856844 @default.
• W4387233067 cites W3092362454 @default.
• W4387233067 cites W3120101028 @default.
• W4387233067 cites W3150218873 @default.
• W4387233067 cites W3159692026 @default.
• W4387233067 cites W3217731140 @default.
• W4387233067 cites W4288036460 @default.
• W4387233067 cites W4323306040 @default.
• W4387233067 cites W4366385247 @default.
• W4387233067 doi "https://doi.org/10.1016/j.inoche.2023.111537" @default.
• W4387233067 hasPublicationYear "2023" @default.
• W4387233067 type Work @default.
• W4387233067 citedByCount "0" @default.
• W4387233067 crossrefType "journal-article" @default.
• W4387233067 hasAuthorship W4387233067A5010408747 @default.
• W4387233067 hasAuthorship W4387233067A5028013109 @default.
• W4387233067 hasAuthorship W4387233067A5060882415 @default.
• W4387233067 hasAuthorship W4387233067A5061062562 @default.
• W4387233067 hasAuthorship W4387233067A5066627362 @default.
• W4387233067 hasAuthorship W4387233067A5088887397 @default.
• W4387233067 hasConcept C115624301 @default.
• W4387233067 hasConcept C121332964 @default.
• W4387233067 hasConcept C130188946 @default.
• W4387233067 hasConcept C133386390 @default.
• W4387233067 hasConcept C139287275 @default.
• W4387233067 hasConcept C139358910 @default.
• W4387233067 hasConcept C142724271 @default.
• W4387233067 hasConcept C147597530 @default.
• W4387233067 hasConcept C152365726 @default.
• W4387233067 hasConcept C160892712 @default.
• W4387233067 hasConcept C178790620 @default.
• W4387233067 hasConcept C185592680 @default.
• W4387233067 hasConcept C192562407 @default.
• W4387233067 hasConcept C204787440 @default.
• W4387233067 hasConcept C2776910235 @default.
• W4387233067 hasConcept C2780694488 @default.
• W4387233067 hasConcept C32909587 @default.
• W4387233067 hasConcept C49040817 @default.
• W4387233067 hasConcept C61276311 @default.
• W4387233067 hasConcept C62520636 @default.
• W4387233067 hasConcept C71924100 @default.
• W4387233067 hasConcept C73922627 @default.
• W4387233067 hasConcept C8010536 @default.
• W4387233067 hasConceptScore W4387233067C115624301 @default.
• W4387233067 hasConceptScore W4387233067C121332964 @default.
• W4387233067 hasConceptScore W4387233067C130188946 @default.
• W4387233067 hasConceptScore W4387233067C133386390 @default.
• W4387233067 hasConceptScore W4387233067C139287275 @default.
• W4387233067 hasConceptScore W4387233067C139358910 @default.
• W4387233067 hasConceptScore W4387233067C142724271 @default.
• W4387233067 hasConceptScore W4387233067C147597530 @default.
• W4387233067 hasConceptScore W4387233067C152365726 @default.
• W4387233067 hasConceptScore W4387233067C160892712 @default.
• W4387233067 hasConceptScore W4387233067C178790620 @default.

• next