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A charge transfer complex CH+3—Ar in the gas phase

✍ Scribed by Kenzo Hiraoka; Ichiro Kudaka; Shinichi Yamabe

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
443 KB
Volume
178
Category
Article
ISSN
0009-2614

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✦ Synopsis

The thermochemical data tif_ ,," and AS:_,," for clustering reactions CHf (Ar)._, +Ar=CHf (Ai),, were determined with a pulsed electron beam high-pressure mass spectrometer. It was found that (1) the bond energy of CH: (Ar), with n= 1 (-AH& = Il.3 kcal/mol) is much higher than that with n=2 ( -AHp,2 = 2.26 kcal/mol); (2) -AH& is slightly greater than -LW$$, (1.97 kcal/mol), and (3) the -AH:_,," values with n=3-8 arc almost n-independent. The structures of CH$ (Ar), with II= l-3 were determined by ab initio MO calculations. The theoretical calculations predict some participation of cuvalent bond (charge transfer) in CH:(Ar), with n=l and 2. The nature of bonding in the complex with tG3 is almost entirely electrostatic.

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