STRUCTURE AND VIBRATIONS OF THE PHENOL-AMMONIA CLUSTER

被引：53

作者：

SCHIEFKE, A ^{[1
]}

DEUSEN, C ^{[1
]}

JACOBY, C ^{[1
]}

GERHARDS, M ^{[1
]}

SCHMITT, M ^{[1
]}

KLEINERMANNS, K ^{[1
]}

HERING, P ^{[1
]}

机构：

[1] UNIV DUSSELDORF,INST PHYS CHEM & ELEKTROCHEM 1,D-40225 DUSSELDORF,GERMANY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 23期

关键词：

D O I：

10.1063/1.468869

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 phenol-ammonia 1:1 complex has been investigated by mass resolved hole burning spectroscopy and ab initio methods at the HF/6-31G(d,p) and HF/6-31++G(d,p) levels of theory. By means of spectral hole burning four bands in the region of intermolecular vibrations could be assigned to the 1:1 complex. The ab initio computed cluster structure and its normal vibrations are reported and compared to the experimental results. Anharmonic calculations were carried out for the ammonia torsion. The results are compared to structurally related complexes. © 1995 American Institute of Physics.

引用

页码：9197 / 9204

页数：8

共 87 条

[1] DISPERSED FLUORESCENCE-SPECTRA OF HYDROGEN-BONDED PHENOLS IN A SUPERSONIC FREE JET [J].

ABE, H ;

MIKAMI, N ;

ITO, M ;

UDAGAWA, Y .

JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (14) :2567-2569

[2] 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

[3]

BERDEN G, IN PRESS

[4] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].

BOYS, SF ;

BERNARDI, F .

MOLECULAR PHYSICS, 1970, 19 (04) :553-&

[5] MEASUREMENT OF THE PERPENDICULAR ROTATION-TUNNELING SPECTRUM OF THE WATER DIMER BY TUNABLE FAR INFRARED-LASER SPECTROSCOPY IN A PLANAR SUPERSONIC JET [J].

BUSAROW, KL ;

COHEN, RC ;

BLAKE, GA ;

LAUGHLIN, KB ;

LEE, YT ;

SAYKALLY, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (08) :3937-3943

[6] PROTON-TRANSFER IN NEUTRAL GAS-PHASE CLUSTERS - ALPHA-NAPHTHOL.(NH3)N [J].

CHESHNOVSKY, O ;

LEUTWYLER, S .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) :4127-4138

[7] MOLECULAR-BEAM MULTIPHOTON-IONIZATION STUDIES ON AMMONIA WATER BINARY CLUSTERS [J].

CHOO, KY ;

SHINOHARA, H ;

NISHI, N .

CHEMICAL PHYSICS LETTERS, 1983, 95 (02) :102-105

[8] THE INFRARED PREDISSOCIATION SPECTRA OF WATER CLUSTERS [J].

COKER, DF ;

MILLER, RE ;

WATTS, RO .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (08) :3554-3562

[9] ROTATIONAL COHERENCE SPECTROSCOPY AND STRUCTURE OF PHENOL DIMER [J].

CONNELL, LL ;

OHLINE, SM ;

JOIREMAN, PW ;

CORCORAN, TC ;

FELKER, PM .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (04) :2585-2593

[10] ROTATIONAL COHERENCE SPECTROSCOPY OF 1-NAPHTHOL-(WATER)2 CLUSTERS - STRUCTURAL EVIDENCE FOR A CYCLIC HYDROGEN-BONDED TRIMER [J].

CONNELL, LL ;

OHLINE, SM ;

JOIREMAN, PW ;

CORCORAN, TC ;

FELKER, PM .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (06) :4668-4671

← 1 2 3 4 5 6 7 8 9 →