FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2053098785> ?p ?o ?g. }

• W2053098785 endingPage "7345" @default.
• W2053098785 startingPage "7335" @default.
• W2053098785 abstract "Recent crystallographic data unambiguously demonstrate that neither Ar‘GeGeAr‘ nor Ar‘CrCrAr‘ molecules adopt the expected linear (VSEPR-like) geometries. Does the adoption of trans-bent geometries indicate that Ar‘MMAr‘ molecules are not “maximally bonded” (i.e., bond order of three for M = Ge and five for M = Cr)? We employ theoretical hybrid density functional (B3LYP/6-311++G**) computations and natural bond orbital-based analysis to quantify molecular bond orders and to elucidate the electronic origin of such unintuitive structures. Resonance structures based on quintuple M−M bonding dominate for the transition metal compounds, especially for molybdenum and tungsten. For the main group, M−M bonding consists of three shared electron pairs, except for M = Pb. For both d- and p-block compounds, the M−M bond orders are reflected in torsional barriers, bond−antibond splittings, and heats of hydrogenation in a qualitatively intuitive way. Trans-bent structures arise primarily from hybridization tendencies that yield the strongest σ-bonds. For transition metals, the strong tendency toward sd-hybridization in making covalent bonds naturally results in bent ligand arrangements about the metal. In the p-block, hybridization tendencies favor high p-character, with increasing avidity as one moves down the Group 14 column, and nonlinear structures result. In both the p-block and the d-block, bonding schemes have easily identifiable Lewis-like character but adopt somewhat unconventional orbital interactions. For more common metal−metal multiply bonded compounds such as [Re2Cl8]2-, the core Lewis-like fragment [Re2Cl4]2+ is modified by four hypervalent three-center/four-electron additions." @default.
• W2053098785 created "2016-06-24" @default.
• W2053098785 creator A5028194420 @default.
• W2053098785 creator A5069954993 @default.
• W2053098785 date "2006-05-12" @default.
• W2053098785 modified "2023-10-03" @default.
• W2053098785 title "Origin of Trans-Bent Geometries in Maximally Bonded Transition Metal and Main Group Molecules" @default.
• W2053098785 cites W1967312380 @default.
• W2053098785 cites W1969849764 @default.
• W2053098785 cites W1986394484 @default.
• W2053098785 cites W1987884558 @default.
• W2053098785 cites W1988022523 @default.
• W2053098785 cites W1988817436 @default.
• W2053098785 cites W1992613466 @default.
• W2053098785 cites W1999744447 @default.
• W2053098785 cites W2000727182 @default.
• W2053098785 cites W2000828277 @default.
• W2053098785 cites W2004222811 @default.
• W2053098785 cites W2004288527 @default.
• W2053098785 cites W2005688071 @default.
• W2053098785 cites W2008382162 @default.
• W2053098785 cites W2014436273 @default.
• W2053098785 cites W2017435104 @default.
• W2053098785 cites W2021293699 @default.
• W2053098785 cites W2030933026 @default.
• W2053098785 cites W2031659424 @default.
• W2053098785 cites W2034032435 @default.
• W2053098785 cites W2037481719 @default.
• W2053098785 cites W2038080763 @default.
• W2053098785 cites W2038767330 @default.
• W2053098785 cites W2043639591 @default.
• W2053098785 cites W2045172275 @default.
• W2053098785 cites W2048081857 @default.
• W2053098785 cites W2049057102 @default.
• W2053098785 cites W2051462735 @default.
• W2053098785 cites W2051631820 @default.
• W2053098785 cites W2051988598 @default.
• W2053098785 cites W2052043507 @default.
• W2053098785 cites W2052242822 @default.
• W2053098785 cites W2053541017 @default.
• W2053098785 cites W2055152800 @default.
• W2053098785 cites W2057460345 @default.
• W2053098785 cites W2060373542 @default.
• W2053098785 cites W2064622082 @default.
• W2053098785 cites W2066655294 @default.
• W2053098785 cites W2069099743 @default.
• W2053098785 cites W2069329659 @default.
• W2053098785 cites W2071417341 @default.
• W2053098785 cites W2071922898 @default.
• W2053098785 cites W2079322631 @default.
• W2053098785 cites W2079724842 @default.
• W2053098785 cites W2083319357 @default.
• W2053098785 cites W2083899217 @default.
• W2053098785 cites W2112251884 @default.
• W2053098785 cites W2121398598 @default.
• W2053098785 cites W2122352016 @default.
• W2053098785 cites W2125122393 @default.
• W2053098785 cites W2132427316 @default.
• W2053098785 cites W2142203562 @default.
• W2053098785 cites W2158497679 @default.
• W2053098785 cites W2319297732 @default.
• W2053098785 cites W4244533444 @default.
• W2053098785 cites W4254351430 @default.
• W2053098785 cites W72788959 @default.
• W2053098785 doi "https://doi.org/10.1021/ja060992u" @default.
• W2053098785 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16734489" @default.
• W2053098785 hasPublicationYear "2006" @default.
• W2053098785 type Work @default.
• W2053098785 sameAs 2053098785 @default.
• W2053098785 citedByCount "95" @default.
• W2053098785 countsByYear W20530987852012 @default.
• W2053098785 countsByYear W20530987852013 @default.
• W2053098785 countsByYear W20530987852014 @default.
• W2053098785 countsByYear W20530987852015 @default.
• W2053098785 countsByYear W20530987852016 @default.
• W2053098785 countsByYear W20530987852017 @default.
• W2053098785 countsByYear W20530987852018 @default.
• W2053098785 countsByYear W20530987852019 @default.
• W2053098785 countsByYear W20530987852020 @default.
• W2053098785 countsByYear W20530987852021 @default.
• W2053098785 countsByYear W20530987852023 @default.
• W2053098785 crossrefType "journal-article" @default.
• W2053098785 hasAuthorship W2053098785A5028194420 @default.
• W2053098785 hasAuthorship W2053098785A5069954993 @default.
• W2053098785 hasConcept C106773901 @default.
• W2053098785 hasConcept C108797602 @default.
• W2053098785 hasConcept C115624301 @default.
• W2053098785 hasConcept C124600460 @default.
• W2053098785 hasConcept C138211643 @default.
• W2053098785 hasConcept C147597530 @default.
• W2053098785 hasConcept C155860418 @default.
• W2053098785 hasConcept C161790260 @default.
• W2053098785 hasConcept C167455563 @default.
• W2053098785 hasConcept C178790620 @default.
• W2053098785 hasConcept C180577832 @default.
• W2053098785 hasConcept C185592680 @default.
• W2053098785 hasConcept C2781311116 @default.
• W2053098785 hasConcept C32909587 @default.

• next