IR matrix spectroscopy of pentachlorocyclopentadienyl cation C5Cl5+. Effect of chlorine as a substituent

Hrvoj Vančik; Igor Novak; Davor Kidemet

doi:10.1021/jp961610h

IR matrix spectroscopy of pentachlorocyclopentadienyl cation C₅Cl₅⁺. Effect of chlorine as a substituent

Hrvoj Vančik, Igor Novak, Davor Kidemet

Agricultural, Environmental and Veterinary Sciences

Rudjer Bošković, Institute and Faculty of Science

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

The first direct observation of pentachlorocyclopentadienyl cation (C₅Cl₅⁺) by IR spectroscopy was made in cryogenic SbF₅ matrix. The structure of the ion, analyzed by DFT calculations, was found to have D_5h symmetry. It was found that the stabilizing effect of chlorine lone pair electrons, which was observed in other α-chlorocarbocations (CCl₃⁺ or C₃Cl₃⁺), is not present in this molecule.

Original language	English
Pages (from-to)	1523-1525
Number of pages	3
Journal	Journal of Physical Chemistry A
Volume	101
Issue number	8
DOIs	https://doi.org/10.1021/jp961610h
Publication status	Published - 20 Feb 1997

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abstract = "The first direct observation of pentachlorocyclopentadienyl cation (C5Cl5+) by IR spectroscopy was made in cryogenic SbF5 matrix. The structure of the ion, analyzed by DFT calculations, was found to have D5h symmetry. It was found that the stabilizing effect of chlorine lone pair electrons, which was observed in other α-chlorocarbocations (CCl3+ or C3Cl3+), is not present in this molecule.",

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AU - Vančik, Hrvoj

AU - Novak, Igor

AU - Kidemet, Davor

PY - 1997/2/20

Y1 - 1997/2/20

N2 - The first direct observation of pentachlorocyclopentadienyl cation (C5Cl5+) by IR spectroscopy was made in cryogenic SbF5 matrix. The structure of the ion, analyzed by DFT calculations, was found to have D5h symmetry. It was found that the stabilizing effect of chlorine lone pair electrons, which was observed in other α-chlorocarbocations (CCl3+ or C3Cl3+), is not present in this molecule.

AB - The first direct observation of pentachlorocyclopentadienyl cation (C5Cl5+) by IR spectroscopy was made in cryogenic SbF5 matrix. The structure of the ion, analyzed by DFT calculations, was found to have D5h symmetry. It was found that the stabilizing effect of chlorine lone pair electrons, which was observed in other α-chlorocarbocations (CCl3+ or C3Cl3+), is not present in this molecule.

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IR matrix spectroscopy of pentachlorocyclopentadienyl cation C₅Cl₅⁺. Effect of chlorine as a substituent

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