Universität zu Köln

Hetzert, Marc, Yuan, Qinqin, Cao, Wenjin ORCID: 0000-0002-2852-4047, Wang, Xue-Bin, Hempelmann, Jan, Dronskowski, Richard and Ruschewitz, Uwe (2022). Li-2[SeC2Se]center dot 2NH(3): A Crystalline Ammoniate with a Se--C C-Se- Dianion. Inorg. Chem., 61 (46). S. 18769 - 18779. WASHINGTON: AMER CHEMICAL SOC. ISSN 1520-510X

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Abstract

Reaction of Li2C2 with elemental selenium in a molar ratio of 1:2 in liquid ammonia led to the formation of the ammoniate Li-2[SeC2Se]center dot 2NH(3). Its crystal structure was solved and refined from high-resolution synchrotron powder diffraction data (P2(1)/c, Z = 4). It contains the Se--C C-Se- anion, unprecedented in a crystalline material, whose existence was corroborated by IR/Raman spectra and electronic-structure theory, showing an almost perfect agreement with calculated spectra. Elaborated magnetic-bottle and velocity-map imaging photo-electron spectroscopic investigations show that the Se--C C-Se-center dot radical anion can be transferred to the gas phase, where it was analyzed by NIPE (Negative Ion Photoelectron) and VMI (Velocity-Map Imaging) spectra, which correlate nicely with simulated spectra based on (2)Pi(u) -> (3)Sigma(-)(g) and (2)Pi(u) -> (1)Sigma(+)(g) transitions including spin-orbit couplings.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Hetzert, Marc UNSPECIFIED UNSPECIFIED UNSPECIFIED Yuan, Qinqin UNSPECIFIED UNSPECIFIED UNSPECIFIED Cao, Wenjin UNSPECIFIED orcid.org/0000-0002-2852-4047 UNSPECIFIED Wang, Xue-Bin UNSPECIFIED UNSPECIFIED UNSPECIFIED Hempelmann, Jan UNSPECIFIED UNSPECIFIED UNSPECIFIED Dronskowski, Richard UNSPECIFIED UNSPECIFIED UNSPECIFIED Ruschewitz, Uwe UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-674686
DOI:	10.1021/acs.inorgchem.2c03296
Journal or Publication Title:	Inorg. Chem.
Volume:	61
Number:	46
Page Range:	S. 18769 - 18779
Date:	2022
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1520-510X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language DER-WAALS FORCES; PLANE-WAVE; ACETYLIDE; ORGANIZATION; TRANSITION; COMPLEXES; SELENIUM; LITHIUM; NA2C2; TOOL Multiple languages Chemistry, Inorganic & Nuclear Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/67468