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Matrix Infrared Spectra and Density Functional Calculations of CH 2 Cl–Cl and CH 2 Br–Br Produced by Laser‐ablated Metal Plume Irradiation
Author(s) -
Cho HanGook,
Andrews Lester
Publication year - 2015
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.10301
Subject(s) - natural bond orbital , chemistry , photodissociation , ionic bonding , halogen , crystallography , metal , infrared spectroscopy , matrix isolation , infrared , spectral line , photochemistry , analytical chemistry (journal) , density functional theory , ion , computational chemistry , physics , organic chemistry , astronomy , optics , alkyl
CH 2 Cl–Cl and CH 2 Br–Br are observed in matrix IR spectra of CH 2 Cl 2 and CH 2 Br 2 codeposited with laser‐ablated metal atoms. These photoisomers disappear during photolysis following original deposition, consistent with their high energies close to the transition states. The C X bond is a true double bond, and the weak X X bond is largely ionic, H 2 C X δ+ ∙∙∙ X δ– . On the other hand, CH 2 F–F , CH 2 F–Cl , and CH 2 Cl–F are not observed because of their instabilities.
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