Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state

Makrlík, E.; Klepetářová, Blanka; Sýkora, D.; Böhm, S.; Vaňura, P.; Storch, Jan

doi:https://dx.doi.org/10.1016/j.cplett.2015.06.059

Number of the records: 1

Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state

1.

SYSNO ASEP	0450152
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state
Author(s)	Makrlík, E. (CZ) Klepetářová, Blanka (UOCHB-X)_{RID, ORCID} Sýkora, D. (CZ) Böhm, S. (CZ) Vaňura, P. (CZ) Storch, Jan (UCHP-M)_{RID, ORCID, SAI}
Number of authors	6
Source Title	Chemical Physics Letters. - : Elsevier - ISSN 0009-2614 Roč. 635, Aug 16 (2015), s. 355-359
Number of pages	5 s.
Language	eng - English
Country	NL - Netherlands
Keywords	[7]helicene ; univalent silver cation ; crystal structure
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)
	TA01010646 GA TA ČR - Technology Agency of the Czech Republic (TA ČR)
	FR-TI3/628 GA MPO - Ministry of Industry and Trade (MPO)
Institutional support	UOCHB-X - RVO:61388963 ; UCHP-M - RVO:67985858
UT WOS	000362239300064
EID SCOPUS	84938267668
DOI	10.1016/j.cplett.2015.06.059
Annotation	By employing electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the [7]helicene Ag+ complex (i.e., [Ag(C30H18)](+)) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(C30H18)](+) was derived. Finally, in the solid state, the complex [7]helicene-silver triflate-1.5 hydrate (i.e., C30H18-AgCF3SO3-1.5 H2O), crystallizing in the orthorhombic system with the centro-symmetric Pccn space group, was prepared and analyzed by X-ray crystallography.
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