Water-ketones hydrogen bonding: The rotational spectrum of cyclobutanone-water

被引：22

作者：

Melandri, S ^{[1
]}

Maris, A ^{[1
]}

Giuliano, BM ^{[1
]}

Caminati, W ^{[1
]}

机构：

[1] Univ Bologna, Dipartimento Chim, I-40126 Bologna, Italy

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 16期

关键词：

D O I：

10.1063/1.2078767

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 hydrogen-bonded complex cyclobutanone-water has been studied by Fourier-transform molecular-beam microwave spectroscopy in the frequency range of 6-18.5 GHz. The rotational spectra of ten isotopomers have been assigned and measured. Five of them have been obtained from different isotopic species (or configurations) of water (H2O, D2O, DOH, HOD, and H-2 O-18). The remaining five correspond to the four singly substituted C-13 and to the O-18 species of cyclobutanone, observed in natural abundance. For all species the inertial defect is in the range from -10.44 to -10.50 uA(2), showing that the cyclobutanone frame is effectively planar and that the water molecule is coplanar to this frame. The hydrogen bond, almost linear, is formed between a water proton and one of the lone pairs of the cyclobutanone oxygen. (c) 2005 American Institute of Physics.

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页数：6

相关论文

共 37 条

[1] THE CENTIMETER AND MILLIMETER MICROWAVE-SPECTRUM OF CYCLOBUTANONE [J].

ALONSO, JL ;

SPIEHL, R ;

GUARNIERI, A ;

LOPEZ, JC ;

LESARRI, AG .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1992, 156 (02) :341-359

[2]

[Anonymous], 2003, GAUSSIAN 03 REVISION

[3] Jet-cooled rotational spectra and structure of the cyclobutanone ••• hydrogen chloride complex [J].

Antolínez, S ;

López, JC ;

Alonso, JL .

CHEMICAL PHYSICS LETTERS, 2000, 323 (1-2) :130-136

[4] FABRY-PEROT CAVITY PULSED FOURIER-TRANSFORM MICROWAVE SPECTROMETER WITH A PULSED NOZZLE PARTICLE SOURCE [J].

BALLE, TJ ;

FLYGARE, WH .

REVIEW OF SCIENTIFIC INSTRUMENTS, 1981, 52 (01) :33-45

[5] A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations [J].

Becucci, M ;

Pietraperzia, G ;

Pasquini, M ;

Piani, G ;

Zoppi, A ;

Chelli, R ;

Castellucci, E ;

Demtroeder, W .

JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (12) :5601-5607

[6] The Fourier transform rotational spectrum of difluoromethane-water: internal motion of water [J].

Caminati, W ;

Melandri, S ;

Schnell, M ;

Banser, D ;

Grabow, JU ;

Alonso, JL .

JOURNAL OF MOLECULAR STRUCTURE, 2005, 742 (1-3) :87-90

[7] Molecular beam Fourier transform microwave spectrum of the dimethylether-xenon complex:: tunnelling splitting and 131Xe quadrupole coupling constants [J].

Caminati, W ;

Millemaggi, A ;

Alonso, JL ;

Lesarri, A ;

López, JC ;

Mata, S .

CHEMICAL PHYSICS LETTERS, 2004, 392 (1-3) :1-6

[8] The O•••H-O hydrogen bond in the gas phase.: Microwave structure of ethylene oxide water [J].

Caminati, W ;

Moreschini, P ;

Rossi, I ;

Favero, PG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (43) :11144-11148

[9] Conformation and stability of ether-water adducts: Free jet absorption millimeter wave spectrum of 1,4-dioxane-water [J].

Caminati, W ;

Dell'Erba, A ;

Melandri, S ;

Favero, PG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (22) :5555-5558

[10]

Diau EWG, 2001, CHEMPHYSCHEM, V2, P294, DOI 10.1002/1439-7641(20010518)2:5<294::AID-CPHC294>3.0.CO

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