Matches in SemOpenAlex for { <https://semopenalex.org/work/W4237432922> ?p ?o ?g. }
- W4237432922 endingPage "665" @default.
- W4237432922 startingPage "656" @default.
- W4237432922 abstract "Abstract The intrinsic dynamic and static nature m c center‐ n e electron interactions of the σ‐type σ( m c c‐ n e e) were elucidated for the Se‐Se interactions in dicationic oligomers of Se(CH 2 CH 2 CH 2 ) 2 Se ( 1 (Se, Se)) [ n 2+ (Se, Se): n =1–8], especially for m c ≥6, where n 2+ (Se, Se: n =1–8) are abbreviated by n 2+ ( n =1–8), respectively. QTAIM dual functional analysis (QTAIM‐DFA) was applied to the interactions. Perturbed structures generated using coordinates derived from the compliance constants ( C ii ) were employed for QTAIM‐DFA. Each Se‐*‐Se in 1 2+ and 2 2+ has the nature of CT‐TBP (trigonal bipyramidal adduct formation through CT) and Cov‐w (weak covalent), respectively, which supply the starting points of the investigations. The asterisk emphasizes the existence of a bond critical point on the interaction. All Se‐*‐Se in 3 2+ are classified by the regular closed shell ( r ‐CS) interactions and characterized as CT‐MC (molecular complex formation through CT), which are denoted as r ‐CS/CT‐MC, except for the central interaction, of which nature is r ‐CS/CT‐TBP. Most interactions in 4 2+ – 8 2+ are r ‐CS/ t ‐HB wc (typical‐HB with covalency) but some are pure ‐CS/ t ‐HB nc ( t ‐HB with no covalency). The linear Se 2 n 2+ interactions in 2 2+ – 8 2+ seem close to those without any limitations, since the nature of Se‐*‐Se inside and outside of (CH 2 CH 2 CH 2 ) 2 are very similar with each other. The linear Se 2 n 2+ interactions in 3 2+ – 8 2+ are shown to be analyzed as σ( m c c‐ n e e: 6≤ m c ≤16), not by the accumulated σ(3c–4e)." @default.
- W4237432922 created "2022-05-12" @default.
- W4237432922 creator A5054563066 @default.
- W4237432922 creator A5061686413 @default.
- W4237432922 creator A5062721947 @default.
- W4237432922 creator A5085842239 @default.
- W4237432922 date "2021-05-02" @default.
- W4237432922 modified "2023-10-18" @default.
- W4237432922 title "Linear Multiselenium Interactions in Dicationic Oligomers of 1,5‐(Diselena)canes: Behavior of Se mc σ( m c c‐ n e e) (6≤ m c ≤16) Elucidated with QTAIM Dual Functional Analysis" @default.
- W4237432922 cites W1498162837 @default.
- W4237432922 cites W1857171955 @default.
- W4237432922 cites W1925372948 @default.
- W4237432922 cites W1945852875 @default.
- W4237432922 cites W1966217683 @default.
- W4237432922 cites W1969654911 @default.
- W4237432922 cites W1971374200 @default.
- W4237432922 cites W1973665614 @default.
- W4237432922 cites W1976451632 @default.
- W4237432922 cites W1982132588 @default.
- W4237432922 cites W1982407551 @default.
- W4237432922 cites W1990203506 @default.
- W4237432922 cites W1990705914 @default.
- W4237432922 cites W1996133710 @default.
- W4237432922 cites W2001749504 @default.
- W4237432922 cites W2003763615 @default.
- W4237432922 cites W2016713743 @default.
- W4237432922 cites W2020543975 @default.
- W4237432922 cites W2023241578 @default.
- W4237432922 cites W2024544923 @default.
- W4237432922 cites W2027147151 @default.
- W4237432922 cites W2028650288 @default.
- W4237432922 cites W2034944033 @default.
- W4237432922 cites W2036746220 @default.
- W4237432922 cites W2037314161 @default.
- W4237432922 cites W2041460353 @default.
- W4237432922 cites W2044940178 @default.
- W4237432922 cites W2046484950 @default.
- W4237432922 cites W2047066453 @default.
- W4237432922 cites W2047075517 @default.
- W4237432922 cites W2052504449 @default.
- W4237432922 cites W2053589504 @default.
- W4237432922 cites W2053674123 @default.
- W4237432922 cites W2056575495 @default.
- W4237432922 cites W2060512761 @default.
- W4237432922 cites W2062992978 @default.
- W4237432922 cites W2065838132 @default.
- W4237432922 cites W2068396285 @default.
- W4237432922 cites W2073514434 @default.
- W4237432922 cites W2081853085 @default.
- W4237432922 cites W2089896027 @default.
- W4237432922 cites W2091794338 @default.
- W4237432922 cites W2093729941 @default.
- W4237432922 cites W2104603023 @default.
- W4237432922 cites W2112162963 @default.
- W4237432922 cites W2124437805 @default.
- W4237432922 cites W2143644143 @default.
- W4237432922 cites W2145461423 @default.
- W4237432922 cites W2150697053 @default.
- W4237432922 cites W2164712126 @default.
- W4237432922 cites W2301075730 @default.
- W4237432922 cites W2316050579 @default.
- W4237432922 cites W2317136975 @default.
- W4237432922 cites W2322597783 @default.
- W4237432922 cites W2325556925 @default.
- W4237432922 cites W2332796285 @default.
- W4237432922 cites W2483516128 @default.
- W4237432922 cites W2483548563 @default.
- W4237432922 cites W2521965328 @default.
- W4237432922 cites W2594094885 @default.
- W4237432922 cites W2600002414 @default.
- W4237432922 cites W2790403277 @default.
- W4237432922 cites W2794058820 @default.
- W4237432922 cites W2903710756 @default.
- W4237432922 cites W2949075704 @default.
- W4237432922 cites W2950238895 @default.
- W4237432922 cites W2951531011 @default.
- W4237432922 cites W2953358384 @default.
- W4237432922 cites W3043881777 @default.
- W4237432922 doi "https://doi.org/10.1002/open.202100017" @default.
- W4237432922 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33934565" @default.
- W4237432922 hasPublicationYear "2021" @default.
- W4237432922 type Work @default.
- W4237432922 citedByCount "0" @default.
- W4237432922 crossrefType "journal-article" @default.
- W4237432922 hasAuthorship W4237432922A5054563066 @default.
- W4237432922 hasAuthorship W4237432922A5061686413 @default.
- W4237432922 hasAuthorship W4237432922A5062721947 @default.
- W4237432922 hasAuthorship W4237432922A5085842239 @default.
- W4237432922 hasBestOaLocation W42374329221 @default.
- W4237432922 hasConcept C108204754 @default.
- W4237432922 hasConcept C111592845 @default.
- W4237432922 hasConcept C115624301 @default.
- W4237432922 hasConcept C121332964 @default.
- W4237432922 hasConcept C147120987 @default.
- W4237432922 hasConcept C178790620 @default.
- W4237432922 hasConcept C180577832 @default.
- W4237432922 hasConcept C185592680 @default.
- W4237432922 hasConcept C198179714 @default.