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Matrix isolation infrared spectra of hydrogen halide and halogen complexes with nitrosyl halidesMatrix isolation infrared spectra of nitrosyl halide (XNO) complexes with HX and X2 (X = Cl, Br) are presented. The relative frequency shifts of the HX mode are modest (ClNO H-Cl, delta-nu/nu = -0.045; BrNO H-Br, delta-nu/nu = -0.026), indicating weak hydrogen bonds 1-3 kcal/mol. These shifts are accompanied by significant shifts to higher frequencies in the XN-O stretching mode (CIN-O HCl, delta-nu/nu = +0.016; BrN-O HBr, delta-nu/nu = +0.011). Similar shifts were observed for the XN-O X2 complexes (ClN-O Cl2, delta-nu/nu = +0.009; BrN-O-Br2, delta-nu/nu = +0.013). In all four complexes, the X-NO stretching mode relative shift is opposite in sign and about 1.6 times that of the NO stretching mode. These four complexes are considered to be similar in structure and charge distribution. The XN-O frequency shift suggests that complex formation is accompanied by charge withdrawal from the NO bond ranging from about .04 to .07 electron charges. The HX and X2 molecules act as electron acceptors, drawing electrons out of the antibonding orbital of NO and strengthening the XN-O bond. The implications of the pattern of vibrational shifts concerning the structure of the complexes are discussed.
Document ID
19950028538
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Allamandola, Louis J.
(Univ. of California, Berkeley, CA United States)
Lucas, Donald
(Univ. of California, Berkeley, CA United States)
Pimentel, George C.
(Univ. of California, Berkeley, CA United States)
Date Acquired
August 16, 2013
Publication Date
January 1, 1982
Publication Information
Publication: Croatica Chemica ACTA
Volume: 55
Issue: 1 pa
ISSN: 0011-1643
Subject Category
Inorganic And Physical Chemistry
Report/Patent Number
CCA-1319
Accession Number
95A60137
Funding Number(s)
CONTRACT_GRANT: NGL-05-003-286
Distribution Limits
Public
Copyright
Other

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