TY - JOUR
T1 - Adsorption of small molecules with the hydroxyl group on sodium halide cluster ions
AU - Tsuruta, Mamoru
AU - Furuya, Ari
AU - Ohno, Koichi
AU - Lintuluoto, Masami
AU - Misaizu, Fuminori
PY - 2010/3/1
Y1 - 2010/3/1
N2 - We have investigated adsorption of molecules with hydroxyl group, ROH, on sodium halide cluster ions, NanXn-1(X = F and I, n = 10-17) by mass spectrometry and by theoretical calculations. From analysis of the cluster ion intensities, the adsorption of one water molecule (R = H) is most efficient for Na13X12+ whose structure has a NaX defect from a 3 × 3 × 3 cubic structure of n = 14. This result suggests that the defect has an important role in the adsorption reaction. However, it is also found that the reactivity diminishes with increasing bulk size of the R group from H to CH3, (CH 3)2CH, and (CH3)3C. These results imply that the adsorption reactivity is dominated by steric hindrance; the smaller molecules are adsorbed inside the basket structures of Na 13X12+. Reactivity dependence on the basket size is also discussed by comparing the results of NanF n-1+ and NanIn-1+.
AB - We have investigated adsorption of molecules with hydroxyl group, ROH, on sodium halide cluster ions, NanXn-1(X = F and I, n = 10-17) by mass spectrometry and by theoretical calculations. From analysis of the cluster ion intensities, the adsorption of one water molecule (R = H) is most efficient for Na13X12+ whose structure has a NaX defect from a 3 × 3 × 3 cubic structure of n = 14. This result suggests that the defect has an important role in the adsorption reaction. However, it is also found that the reactivity diminishes with increasing bulk size of the R group from H to CH3, (CH 3)2CH, and (CH3)3C. These results imply that the adsorption reactivity is dominated by steric hindrance; the smaller molecules are adsorbed inside the basket structures of Na 13X12+. Reactivity dependence on the basket size is also discussed by comparing the results of NanF n-1+ and NanIn-1+.
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U2 - 10.1021/jp9072312
DO - 10.1021/jp9072312
M3 - Article
C2 - 20020720
AN - SCOPUS:77249094096
VL - 114
SP - 1432
EP - 1436
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 3
ER -