On the synergy of matrix-isolation infrared spectroscopy and vibrational configuration interaction computations
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DOI: 10.1007/s00214-020-02682-0
Abstract: The key feature of matrix-isolation infrared (MI-IR) spectroscopy is the isolation of single guest molecules in a host system at cryogenic conditions. The matrix mostly hinders rotation of the guest molecule, providing access to pure… read more here.
Keywords: matrix isolation; infrared spectroscopy; spectroscopy; configuration interaction ... See more keywords
Probing C-H⋯N interaction in acetylene-benzonitrile complex using matrix isolation infrared spectroscopy and DFT computations
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DOI: 10.1016/j.chemphys.2016.11.019
Abstract: Abstract Hydrogen-bonded complexes of acetylene (C 2 H 2 ) and the benzonitrile (C 6 H 5 CN) have been investigated using matrix isolation infrared spectroscopy and DFT computations. The structure of the complexes and… read more here.
Keywords: matrix isolation; dft computations; spectroscopy; using matrix ... See more keywords
Phosphorous bonding in PCl3:H2O adducts: A matrix isolation infrared and ab initio computational studies
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DOI: 10.1016/j.jms.2016.11.005
Abstract: Abstract Non-covalent interaction between PCl 3 and H 2 O was studied using matrix isolation infrared spectroscopy and ab initio computations. Computations indicated that the adducts are stabilized through novel P⋯O type phosphorus bonding and… read more here.
Keywords: matrix isolation; spectroscopy; bonding pcl3; phosphorous bonding ... See more keywords
Charge-Inverted Hydrogen-Bridged Bond in HCa(μ-H)3E (E = Si, Ge, and Sn): Matrix Isolation Infrared Spectroscopic and Theoretical Studies.
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DOI: 10.1021/acs.inorgchem.0c02132
Abstract: Matrix isolation infrared spectroscopy combined with quantum-chemical calculations were employed to study the reactions of calcium atoms with silane, germane, and stannane in a 4 K argon matrix. The ion pairs [HCa]+ and [EH3]- (E… read more here.
Keywords: matrix isolation; inverted hydrogen; hca; charge inverted ... See more keywords