Number of the records: 1
Acidities of closo-1-COOH-1,7-C2B10H11 and Amino Acids Based on Icosahedral Carbaboranes
- 1.
SYSNO ASEP 0434492 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Acidities of closo-1-COOH-1,7-C2B10H11 and Amino Acids Based on Icosahedral Carbaboranes Author(s) Dávalos, J. Z. (ES)
Gonzalez, J. (ES)
Ramos, R. (ES)
Hnyk, Drahomír (UACH-T) SAI, RID, ORCID
Holub, Josef (UACH-T) SAI, RID, ORCID
Santaballa, J.A. (ES)
Canle, M. (ES)
Oliva, J. M. (ES)Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 118, č. 15 (2014), s. 2788-2793Number of pages 6 s. Language eng - English Country US - United States Keywords energy landscapes ; geochemistry ; isomers ; boron Subject RIV CA - Inorganic Chemistry R&D Projects GAP208/10/2269 GA ČR - Czech Science Foundation (CSF) Institutional support UACH-T - RVO:61388980 UT WOS 000334731100012 EID SCOPUS 84898972644 DOI https://doi.org/10.1021/jp412400q Annotation Carborane clusters are not found in Nature and are exclusively man-made. In this work we study, both experimentally and computationally, the gas-phase acidity (measured GA = 1325 kJ.mol(-1), computed GA = 1321 kJ.mol(-1)) and liquid-phase acidity (measured pK(a) = 2.00, computed pK(a) = 1.88) of the carborane acid closo-1-COOH-1,7-C2B10H11. The experimental gas-phase acidity was determined with electrospray tandem mass spectrometry (ESI/MS), by using the extended Cooks kinetic method (EKM). Given the similar spatial requirements of the title icosahedral cage and benzene and the known importance of aminoacids as a whole, such a study is extended, within an acid-base context, to corresponding ortho, meta, and para amino acids derived from icosahedral carborane cages, 1-COOH-n-NH2-1, n-R with {R = C2B10H10, n = 2, 7, 12}, and from benzene {R = C6H4, n = 2, 3, 4}. A remarkable difference is found between the proportion of neutral versus zwitterion structures in water for glycine and the carborane derived amino acids. Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2015
Number of the records: 1