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Li2[SeC2Se] · 2 NH3: A Crystalline Ammoniate with a-Se-C=C-Se- Dianion

Journal Article · · Inorganic Chemistry
 [1];  [2];  [3];  [3];  [4];  [5];  [1]
  1. University of Cologne
  2. UNIVERSITY PROGRAMS
  3. BATTELLE (PACIFIC NW LAB)
  4. Rheinische Friedrich-Wilhelms-Universitat Bonn
  5. Aachen University
+ Show Author Affiliations

Reaction of Li2C2 with elemental selenium in a molar ratio of 1:2 in liquid ammonia led to the formation of the ammoniate Li2[SeC2Se] ? 2 NH3. Its crystal structure was solved and refined from high-resolution synchrotron powder diffraction data (P21/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 photoelectron spectroscopic investigations show that the ?Se-C?C-Se? 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?u ? 3Sg – and 2?u ?1Sg + transitions including spin-orbit couplings

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1902713
Report Number(s):
PNNL-SA-179087
Journal Information:
Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 46 Vol. 61
Country of Publication:
United States
Language:
English

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