Effects of partially quenched orbital angular momentum on the microwave spectrum and magnetic hyperfine splitting in the OH-water complex

被引：53

作者：

Brauer, CS

Sedo, G

Grumstrup, EM

Leopold, KR

Marshall, MD

Leung, HO

机构：

[1] Amherst Coll, Dept Chem, Amherst, MA 01002 USA

[2] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 401卷 / 4-6期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2004.11.090

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 radical complex OH-H2O has been observed by rotational spectroscopy. Spectra for (OH)-O-16-(OH2)-O-16 and (OH)-O-18-(OH2)-O-18 have been analyzed using a two-state model which accounts for nuclear motion on both the (2)A' and (2)A" potential surfaces. Partial quenching of the OH orbital angular momentum dramatically affects the rotational spectra, and the (2)A'-(2)A" energy separation, p, is determined to be -146.50744(42) cm(-1) . The ground state of the complex has similar to86% (2)A' character and the vibrationally averaged OH-OH2, hydrogen bond distance is 1.952 Angstrom. The magnetic hyperfine constants for the OH proton in the complex are significantly altered from monomer values. (C) 2004 Elsevier B.V. All rights reserved.

引用

收藏

页码：420 / 425

页数：6

相关论文

共 34 条

[1] Radical-water complexes in Earth's atmosphere [J].

Aloisio, S ;

Francisco, JS .

ACCOUNTS OF CHEMICAL RESEARCH, 2000, 33 (12) :825-830

[2] 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

[3] SPECTROSCOPIC MAPPING OF THE OH-AR VANDERWAALS POTENTIAL [J].

BERRY, MT ;

BRUSTEIN, MR ;

ADAMO, JR ;

LESTER, MI .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (20) :5551-5553

[4] The structure of floppy molecules:: the Rg•XH/D (Rg = Ar, Ne, and Kr, X = O or S) family of complexes [J].

Carter, CC ;

Lee, HS ;

McCoy, AB ;

Miller, TA .

JOURNAL OF MOLECULAR STRUCTURE, 2000, 525 :1-45

[5] Infrared measurements and calculations on H2O•HO [J].

Cooper, PD ;

Kjaergaard, HG ;

Langford, VS ;

McKinley, AJ ;

Quickenden, TI ;

Schofield, DP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (20) :6048-6049

[6] Infrared spectrum and stability of a π-type hydrogen-bonded complex between the OH and C2H2 reactants [J].

Davey, JB ;

Greenslade, ME ;

Marshall, MD ;

Lester, MI ;

Wheeler, MD .

JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (07) :3009-3018

[7] An analysis of the magnetic hyperfine interactions in the microwave spectrum of NO-HF: Evidence of electron transfer [J].

Dennis, CR ;

Whitham, CJ ;

Howard, BJ .

JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (03) :1367-1377

[8] THE DYNAMICS OF OPEN-SHELL VANDERWAALS COMPLEXES [J].

DUBERNET, ML ;

FLOWER, D ;

HUTSON, JM .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (12) :7602-7618

[9] STRUCTURE OF WATER DIMER FROM MOLECULAR-BEAM ELECTRIC RESONANCE SPECTROSCOPY [J].

DYKE, TR ;

MACK, KM ;

MUENTER, JS .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (02) :498-510

[10] The water-hydroxyl radical complex:: A matrix isolation study [J].

Engdahl, A ;

Karlström, G ;

Nelander, B .

JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (17) :7797-7802

← 1 2 3 4 →