Morphology of protonated methanol clusters:: An infrared spectroscopic study of hydrogen bond networks of H+(CH3OH)n (n=4-15)

被引:46
作者
Fujii, A [1 ]
Enomoto, S [1 ]
Miyazaki, M [1 ]
Mikami, N [1 ]
机构
[1] Tohoku Univ, Grad Sch Sci, Dept Chem, Sendai, Miyagi 9808578, Japan
关键词
D O I
10.1021/jp0463464
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
Infrared spectroscopy of large-sized protonated methanol clusters, H+(MeOH)(n) (n = 4-15), was carried out in the OH stretch region to characterize the development of the hydrogen bond network with the cluster size, n. The band intensity of the free OH stretching mode decreased with it, and the band finally disappeared at n = 7. On the other hand, the broad absorption band due to hydrogen-bonded OH stretches exhibited a remarkable shift with the cluster size, and it finally converged on 3300 cm(-1) for n greater than or equal to similar to10. The size dependence of the infrared spectra was morphologically interpreted in terms of the formation of the bicyclic hydrogenbonded structure of the clusters.
引用
收藏
页码:138 / 141
页数:4
相关论文
共 27 条
[1]   The structure of microsolvated benzene derivatives and the role of aromatic substituents [J].
Brutschy, B .
CHEMICAL REVIEWS, 2000, 100 (11) :3891-3920
[2]   Vibrational predissociation spectra of size selected methanol clusters: New experimental results [J].
Buck, U ;
Ettischer, I .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (01) :33-38
[3]   A PERTURBATION APPROACH TO PREDICT INFRARED-SPECTRA OF SMALL MOLECULAR CLUSTERS APPLIED TO METHANOL [J].
BUCK, U ;
SCHMIDT, B .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (12) :9410-9424
[4]   Infrared spectroscopy of size-selected water and methanol clusters [J].
Buck, U ;
Huisken, F .
CHEMICAL REVIEWS, 2000, 100 (11) :3863-3890
[5]  
Chang HC, 1999, ISR J CHEM, V39, P231
[6]   Isomeric transitions between linear and cyclic H+(C3H3OH)4,5:: Implications for proton migration in liquid methanol [J].
Chang, HC ;
Jiang, JC ;
Lin, SH ;
Lee, YT ;
Chang, HC .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (16) :2941-2944
[7]   Vibrational spectroscopy of small-sized hydrogen-bonded clusters and their ions [J].
Ebata, T ;
Fujii, A ;
Mikami, N .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 1998, 17 (03) :331-361
[8]  
Frish M.J., 1998, Gaussian-98, Revision A6
[9]   Density functional theory calculations of the structures, binding energies, and infrared spectra of methanol clusters [J].
Hagemeister, FC ;
Gruenloh, CJ ;
Zwier, TS .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (01) :82-94
[10]  
HREZBERG G, 1945, MOL SPECTRA MOL STUR