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Wechselwirkungen in Kristallen, 63 [1, 2]. Kristallisation und Strukturbestimmung von 1,2-Dimesitoylbenzol und von Bis(hydrogen-1,2-dimesitoylbenzol)-dinatrium-bis(ethylendiamin)

Interactions in crystals, 63 [1, 2]. Crystallization and structure determination of 1,2-dimesitoylbenzene and of bis(hydrogen-1,2-dimesitoylbenzene)-disodium-bis(ethylendiamine)

  • Chelate complexes of 1,2-dimesitoylbenzene radical anion with alkali metal cations exhibit in aprotic solution extremely large ESR /ENDOR metal coupling constants. For rationalization, structures of both the neutral molecule (H3C)3H2C6 - CO - C6H4 - CO - C6H2(CH3)3, in which the two carbonyl groups are twisted out of the benzene ring plane by dihedral angles of ± 3̄7̄°, and a sodium contact ion quadruple have been determined. One of the dimers [dimesitoylbenzeneH⊖ (Na⊕H2N H2C - CH2NH2)]2, although generated by Na metal mirror reduction of 1,2-dimesitoylbenzene in aprotic DME solution with added ethylendiamine for better electron transfer, surprisingly contains two 245 pm short (!) hydrogen bridges ⊖O ··· (H)O and in addition two solvation bridges e ⊖O ··· Na⊕(H2NH2C - CH2NH2) ··· O⊖. Results of MNDO calculations based on the experimental coordinates support the proposed concept.

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Metadaten
Author:Hans BockGND, Sabine NickGND, Christian NätherORCiDGND, Wolfgang BenschORCiDGND
URN:urn:nbn:de:hebis:30:3-815263
DOI:https://doi.org/10.1515/znb-1995-0423
ISSN:1865-7117
ISSN:0932-0776
Parent Title (German):Zeitschrift für Naturforschung, B
Publisher:Verlag der Zeitschrift für Naturforschung
Place of publication:Tübingen
Document Type:Article
Language:German
Date of Publication (online):2014/06/02
Year of first Publication:1995
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2024/01/19
Tag:1,2-Dimesitoylbenzene; MNDO Calculations; Radical Anion Sodium Salt; Single Crystal Structures
Volume:50.1995
Issue:4
Page Number:8
First Page:605
Last Page:612
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung-Nicht kommerziell-Keine Bearbeitung 3.0