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

Hrvoj Vančik, Igor Novak, Davor Kidemet

Research output: Contribution to journalArticle

14 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 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.

Original languageEnglish
Pages (from-to)1523-1525
Number of pages3
JournalJournal of Physical Chemistry A
Volume101
Issue number8
Publication statusPublished - 20 Feb 1997

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