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Cation-pi interaction of Ag+ with [6]helicene: An experimental and theoretical study

SYSNO ASEP	0446298
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Cation-pi interaction of Ag+ with [6]helicene: An experimental and theoretical study
Author(s)	Makrlík, E. (CZ) Jaklová Dytrtová, Jana (UOCHB-X)_{RID, ORCID} Vaňura, P. (CZ) Sýkora, Jan (UCHP-M)_{RID, ORCID, SAI} Církva, Vladimír (UCHP-M)_{RID, ORCID, SAI} Storch, Jan (UCHP-M)_{RID, ORCID, SAI}
Number of authors	6
Source Title	Chemical Physics Letters. - : Elsevier - ISSN 0009-2614 Roč. 633, Jul 16 (2015), s. 105-108
Number of pages	4 s.
Language	eng - English
Country	NL - Netherlands
Keywords	circular dichroism ; amino acids ; gas-phase
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GP13-21409P GA ČR - Czech Science Foundation (CSF)
	GAP207/10/1124 GA ČR - Czech Science Foundation (CSF)
Institutional support	UOCHB-X - RVO:61388963 ; UCHP-M - RVO:67985858
UT WOS	000357655100018
EID SCOPUS	84930660616
DOI	10.1016/j.cplett.2015.04.029
Annotation	By using electrospray ionization mass spectrometry (ESI-MS), it was proven that the univalent silver cation (Ag+) forms with [6]helicene (C26H16) the cationic complex species [Ag(C26H16)](+). Further, by means of the collision-induced dissociation (CID) experiments, the appearance energy (AE) of the proven complex was found to be 255.0 kJ mol(-1). Finally, applying quantum mechanical DFT calculations, the most probable structure of the resulting complex was derived.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2016

Number of the records: 1