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Volumn 30, Issue 6, 2011, Pages 1419-1428

Tuning the gap: Electronic properties and radical-type reactivities of heteronuclear [1.1.1]propellanes of heavier group 14 elements

Author keywords

[No Author keywords available]

Indexed keywords

BRIDGING UNITS; CLUSTER CORES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIFFERENT SIZES; ELECTROCHEMICAL STUDIES; EXCITATION WAVELENGTH; FERROCENYL; GROUP 14 ELEMENT; HETERONUCLEAR; HOMONUCLEAR; LIGAND-FREE; ORBITALS; PROPELLANES; REDUCTIVE COUPLINGS; SPATIAL PROXIMITY; TIN HYDRIDES; X RAY STRUCTURE ANALYSIS; X-RAY STRUCTURE;

EID: 79952921817     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om100977z     Document Type: Article
Times cited : (33)

References (112)
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    • The quantity of radical character is fundamentally different from the theory of radical behavior. Radical character serves as a theoretical measure, whereas radical behavior is experimentally observed for such species
    • The quantity of radical character is fundamentally different from the theory of radical behavior. Radical character serves as a theoretical measure, whereas radical behavior is experimentally observed for such species.
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    • 1H NMR spectroscopic investigations on the crude reaction mixtures revealed that only one heavy [1.1.1]propellane has been formed consisting of the cluster atom connectivity described in the text. However, we are not able to exclude that other, for example, [2.1.1]propellanes are formed during the complex reactions
    • 1H NMR spectroscopic investigations on the crude reaction mixtures revealed that only one heavy [1.1.1]propellane has been formed consisting of the cluster atom connectivity described in the text. However, we are not able to exclude that other, for example, [2.1.1]propellanes are formed during the complex reactions.
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    • As described in the Experimental Section, the workup procedure of 2 requires a step in which the thoroughly dried crude product of the reductive coupling reaction has to be exposed to air for several minutes. During this time, the color changes to dark purple, indicative for the formation of 2. Currently, we are not able to comment on the reactions taking place in this step. This is work in progress
    • As described in the Experimental Section, the workup procedure of 2 requires a step in which the thoroughly dried crude product of the reductive coupling reaction has to be exposed to air for several minutes. During this time, the color changes to dark purple, indicative for the formation of 2. Currently, we are not able to comment on the reactions taking place in this step. This is work in progress.
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    • 2 state in Figure 3 is based on the agreement with its B3LYP/def2-TZVP excitation energy as well as its computed oscillator strength (which is an order of magnitude larger than for a nearby E -type transition).
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    • 6 and 2, however, give only decomposition products.
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    • EI mass spectrometric investigations on powder samples of 4 and 5 gave only full decomposition of the compounds
    • EI mass spectrometric investigations on powder samples of 4 and 5 gave only full decomposition of the compounds.
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    • It is important to note that we have observed a linear relationship between the nonbonded Sn-Sn distances and the tin coupling constants for several addition products. Furthermore, even shorter distances have been detected for some 1,3-disubstituted bicyclo[1.1.1]pentane derivatives as compared to the [1.1.1]propellane parent systems. Dissertation, Karlsruhe Institute of Technology (KIT), (ISBN: 978-3-8325-2729-7). See also ref 4c
    • It is important to note that we have observed a linear relationship between the nonbonded Sn-Sn distances and the tin coupling constants for several addition products. Furthermore, even shorter distances have been detected for some 1,3-disubstituted bicyclo[1.1.1]pentane derivatives as compared to the [1.1.1]propellane parent systems. Nied, D. Dissertation, Karlsruhe Institute of Technology (KIT), 2010, (ISBN: 978-3-8325-2729-7). See also ref 4c.
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    • 4 to furnish the corresponding 1,3-disubstituted bicyclo[1.1.1]pentanes
    • 4 to furnish the corresponding 1,3-disubstituted bicyclo[1.1.1]pentanes.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.