Infrared spectroscopy of hydrogen-bonded phenol-amine clusters in supersonic jets

被引:146
作者
Iwasaki, A [1 ]
Fujii, A [1 ]
Watanabe, T [1 ]
Ebata, T [1 ]
Mikami, N [1 ]
机构
[1] TOHOKU UNIV,GRAD SCH SCI,DEPT CHEM,SENDAI,MIYAGI 98077,JAPAN
关键词
D O I
10.1021/jp960711c
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
We report infrared spectra of hydrogen-bonded phenol-amine clusters, phenol-NH3, -N(CH3)(3), -NH(C2H5)(2), and -N(C2H5)(3), prepared in jet expansions. The OH, NH, and CH stretching fundamentals were studied. infrared-ultraviolet double-resonance techniques were utilized for vibrational spectroscopy of size-selected clusters. The OH stretch frequencies of the phenol moieties showed extremely large red-shifts from that of bare phenol, reflecting the strong proton affinities of the amines. Moreover, non-proton-transferred structures of the clusters were confirmed. The detailed structure of phenol-NH3 was examined by nb initio calculations, which reproduced the observed infrared spectrum.
引用
收藏
页码:16053 / 16057
页数:5
相关论文
共 28 条
[1]   FLUORESCENCE EXCITATION-SPECTRA OF HYDROGEN-BONDED PHENOLS IN A SUPERSONIC FREE JET [J].
ABE, H ;
MIKAMI, N ;
ITO, M .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (10) :1768-1771
[2]   FOURIER-TRANSFORM AND CARS SPECTROSCOPY OF THE V1 AND V3 FUNDAMENTAL BANDS OF (NH3)-N-14 [J].
ANGSTL, R ;
FINSTERHOLZL, H ;
FRUNDER, H ;
ILLIG, D ;
PAPOUSEK, D ;
PRACNA, P ;
RAO, KN ;
SCHROTTER, HW ;
URBAN, S .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1985, 114 (02) :454-472
[3]  
BAUER SH, 1950, J MOL SPECTROSC, V3, P132
[4]   2750-A ELECTRONIC BAND SYSTEM OF PHENOL .I. IN-PLANE VIBRATIONAL SPECTRUM [J].
BIST, HD ;
BRAND, JCD ;
WILLIAMS, DR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1966, 21 (01) :76-&
[5]  
BURGI T, 1995, J CHEM PHYS, V103, P6350, DOI 10.1063/1.470416
[6]   OH stretching vibrations of phenol-(H2O)(1) and phenol-(H2O)(3) in the S-1 state [J].
Ebata, T ;
Mizuochi, N ;
Watanabe, T ;
Mikami, N .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (02) :546-550
[7]   EVIDENCE FOR THE CYCLIC FORM OF PHENOL TRIMER - VIBRATIONAL SPECTROSCOPY OF THE OH STRETCHING VIBRATIONS OF JET-COOLED PHENOL DIMER AND TRIMER [J].
EBATA, T ;
WATANABE, T ;
MIKAMI, N .
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (16) :5761-5764
[8]  
FRISCH MJ, 1993, GAUSSIAN 92 REVISION
[9]   STRUCTURE AND VIBRATIONS OF PHENOL(H2O)(2) [J].
GERHARDS, M ;
KLEINERMANNS, K .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (17) :7392-7400
[10]   IONIZATION-LOSS STIMULATED RAMAN-SPECTROSCOPY OF JET-COOLED HYDROGEN-BONDED COMPLEXES CONTAINING PHENOLS [J].
HARTLAND, GV ;
HENSON, BF ;
VENTURO, VA ;
FELKER, PM .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (03) :1164-1173