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C-3-symmetric azaphosphatranes
KTH, Superseded Departments, Chemistry.ORCID iD: 0000-0002-1743-7650
2000 (English)In: Collection of Czechoslovak Chemical Communications, ISSN 0010-0765, E-ISSN 1212-6950, Vol. 65, no 4, 570-576 p.Article in journal (Refereed) Published
Abstract [en]

C-3-Symmetric azaphosphatranes, (3S, 7S,10S)-2,3,7,8,9,10-hexamethyl-2,8,9-triaza-5-azonial-lambda(5)-phosphabicyclo[3.3.3]undecane chloride and (3S,7S,10S)-3,7,10-triisopropyl-2,8,9-trimethyl -2,8,9-triaza-5-azonia-1-lambda(5)-phosphabicyclo[3.3.3]undecane chloride, have been prepared starting from the corresponding chiral tripodal tetraamines and chlorobis-(diethylamino)phosphane. The compounds are weak acids which are not fully deprotonated by potassium tert-butoxide. Density functional calculations of the compounds and their conjugate bases demonstrate that the weak acidity originates in a conformational change upon deprotonation leading to substantial steric repulsion.

Place, publisher, year, edition, pages
2000. Vol. 65, no 4, 570-576 p.
Keyword [en]
azaphosphatranes, C-3 symmetry, chirality, basicity, quantum chemistry, DFT calculations, gaussian basis functions, atomic basis sets, first-row atoms, molecular calculations, triamidoamine, contraction, promoter
Identifiers
URN: urn:nbn:se:kth:diva-19833ISI: 000087632400011OAI: oai:DiVA.org:kth-19833DiVA: diva2:338525
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Moberg, Christina

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