Acidities of closo-1-COOH-1,7-C2B10H11 and Amino Acids Based on Icosahedral Carbaboranes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F14%3A00434492" target="_blank" >RIV/61388980:_____/14:00434492 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/jp412400q" target="_blank" >http://dx.doi.org/10.1021/jp412400q</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp412400q" target="_blank" >10.1021/jp412400q</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Acidities of closo-1-COOH-1,7-C2B10H11 and Amino Acids Based on Icosahedral Carbaboranes

Popis výsledku v původním jazyce

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 ca

Název v anglickém jazyce

Acidities of closo-1-COOH-1,7-C2B10H11 and Amino Acids Based on Icosahedral Carbaboranes

Popis výsledku anglicky

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 ca

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CA - Anorganická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/GAP208%2F10%2F2269" target="_blank" >GAP208/10/2269: Vývoj a strukturní charateristika možných prekursorů borových nanotrubic na bázi spojených ikosahedronů. Sdílené ikosahedrony kovem.</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry A

ISSN

1089-5639

e-ISSN

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Svazek periodika

118

Číslo periodika v rámci svazku

15

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

2788-2793

Kód UT WoS článku

000334731100012

EID výsledku v databázi Scopus

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