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The photoelectron spectrum of the free radical chlorine dioxide

✍ Scribed by A.B Cornford; D.C Frost; F.G Herring; C.A McDowell

Publisher: Elsevier Science
Year: 1971
Tongue: English
Weight: 252 KB
Volume: 10
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(71)80305-6

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✦ Synopsis

To aidin inteqreting fhe experimental ionizati& potekials CNDO/Z calculatiox~~ gere cassied out asuming that-the ion had the. same geometry as the paren/ free radical. These caIcuI.atio~~ .&owed that theeIectron confiition for ClO, is . ..G b:a: pi: and for ClO; is . ..a. b: 4 with the lowest unoccupied being b, . The vibrational stkucture evident on the first tkd (980 cm-') is assign& to the vI inode. and is 4% bigher in fr&&cy than tbe'~orresponding value of vI in the neutral molecule. which rcfle& the g&iboudi&natur~ of the (b,)orbital.

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