2
8
M. Wierzejewska et al.rChemical Physics 228 (1998) 17–29
Trends observed in the series of complexes formed
by HONO-trans with various bases have been re-
complexes is consistent with this conclusion. The
calculated spectra reproduce well the frequencies and
the intensities of the measured spectra of the studied
complexes.
cently presented w36x. The shift of the OH stretching
vibration in the SO –HONO-trans complex is rela-
2
y1
tively small Ž51 cm .. This value places this system
between CH –HONO and OC–HONO complexes in
4
spite of the higher proton affinity value of SO2
Acknowledgements
ŽPAs657 kJrmol. than those of CH and CO Ž540
4
and 590 kJrmol, respectively.. The perturbation of
ZM gratefully acknowledges financial support
from the Polish State Committee for Scientific Re-
search ŽGrant KBN No. 2 0848 91 01.. RW and ZL
the OH stretching mode in the CH –HONO and
4
y1
OC–HONO systems is equal to 23 and 72 cm
respectively.
,
gratefully acknowledges financial support from the
Comparison of the OH stretching vibration shifts
in the complexes of nitrous and nitric acids with the
same base shows that much stronger hydrogen bonds
University of Wroclaw. Wroclaw Supercomputer
Centre, Poznan Supercomputer Centre and Interdisci-
´
plinary Centre for Mathematical and Computational
Modeling in Warszawa are gratefully thanked for
providing computing facilities and generous comput-
ing resources.
are formed in B–HNO than in corresponding B–
3
HONO-trans complexes. The same is true for the
here studied SO –HNO and SO –HONO systems.
2
3
2
References
5
. Conclusions
Infrared matrix isolation studies and ab initio
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