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Cover Feature: Direct IR Spectroscopic Detection of a Low‐Lying Electronic State in a Metal Carbide Cluster (ChemPhysChem 12/2018)
Author(s) -
Chernyy Valeriy,
Logemann Remko,
Kirilyuk Andrei,
Bakker Joost M.
Publication year - 2018
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201800458
Subject(s) - cluster (spacecraft) , cover (algebra) , coupled cluster , infrared , ionization , position (finance) , feature (linguistics) , electronic structure , state (computer science) , atomic physics , chemistry , metal , materials science , physics , computational chemistry , molecule , computer science , optics , mechanical engineering , ion , linguistics , philosophy , organic chemistry , finance , algorithm , engineering , economics , programming language
The Cover Feature illustrates the ionization of the Ta 5 C 3 cluster with a combination of infrared and UV radiation revealing, in addition to a set of vibrational state, also an unusually low electronic state. The position of this state is also in excellent agreement with the results of time‐dependent DFT calculations. More information can be found in the Article by V. Chernyy et al. on page 1424 in Issue 12, 2018 (DOI: 10.1002/cphc.201701365).