MATRIX-ISOLATION INVESTIGATION OF THE VIBRATIONAL SPECTROSCOPY AND PHOTOCHEMISTRY OF COMPLEXES OF HCL AND HBR WITH NITRIC-OXIDE AB-INITIO STUDY OF THE NO - HCL COMPLEX STRUCTURE

被引:14
|
作者
DESAXCE, A
SANNA, N
SCHRIVER, A
SCHRIVERMAZZUOLI, L
机构
[1] UNIV PARIS 06,PHYS MOLEC & APPLICAT LAB,CNRS,UPR 136,TOUR 13,BTE 76,4 PL JUSSIEU,F-75252 PARIS 05,FRANCE
[2] UNIV ROMA LA SAPIENZA,CONSORZIO APPLICAZ SUPERCALCOLO,I-00185 ROME,ITALY
关键词
D O I
10.1016/0301-0104(94)00140-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The matrix isolation technique has been used to isolate and characterize the complexes between two hydrogen halides (HCl and HBr) and the nitric oxide (monomer and cis dimer). Identification of the complexes was performed through the observation of the HX and (NO)x (x = 1, 2) submolecule stretching modes. Ab initio calculation shows that the most stable structure ClH:NO is linear with a 0.002 angstrom shortening of the NO bond distance and an increase of the HCI bond length with an identical amount. photochemistry of the identified complexes was also studied. The photoproduct of both NO:HX and (NO)2 HX complexes is XNO (X = Cl, Br) upon UV irradiation. In the case of the (NO)2:HX complex the XNO molecule is complexed to HNO in the matrix cage.
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页码:365 / 383
页数:19
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