Evidence for chiral isomers in the spectra of small size selected hydrazine clusters

被引：11

作者：

Beu, TA ^{[1
]}

Buck, U

机构：

[1] Univ Babes Bolyai, Fac Phys, Dept Theoret Phys, R-3400 Cluj Napoca, Romania

[2] Max Planck Inst Stromungsforsch, D-37073 Gottingen, Germany

来源：

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 2000年 / 214卷 / 04期

关键词：

molecular clusters; IR-spectra; calculations of lineshifts;

D O I：

10.1524/zpch.2000.214.4.437

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：

New configurations of hydrazine (N2H4)(n) clusters have been calculated from dimer to tetramer which contain one monomer with one inverted NH2 group. This procedure generates new chiral isomers of the clusters. The calculated lineshifts of the asymmetric NH2 wag mode lead for the dimer and the trimer to a much better agreement with the experimental results than obtained in previous calculations without the chiral isomers. For the tetramer the spectra do not differ for the two configurations.

引用

页码：437 / 447

页数：11

共 30 条

[1] A new intermolecular potential for hydrazine clusters: Structures and spectra [J].

Beu, TA ;

Buck, U ;

Siebers, JG ;

Wheatley, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (17) :6795-6805

[2] Vibrational predissociation spectra of size selected hydrazine clusters: Experiment and calculations [J].

Beu, TA ;

Buck, U ;

Ettischer, I ;

Hobein, M ;

Siebers, JG ;

Wheatley, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (17) :6806-6812

[3] STRUCTURE AND IR-SPECTRUM CALCULATIONS FOR SMALL SF6 CLUSTERS [J].

BEU, TA ;

TAKEUCHI, K .

JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (15) :6394-6413

[4] PERTURBATION APPROACH FOR FREQUENCY-SHIFTS IN IR-SPECTRA OF MOLECULAR CLUSTERS [J].

BEU, TA .

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1994, 31 (1-2) :95-104

[5] Structure and vibrational spectra of methanol clusters from a new potential model [J].

Buck, U ;

Siebers, JG ;

Wheatley, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (01) :20-32

[6] 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

[7] ELECTRON-BOMBARDMENT FRAGMENTATION OF AR VAN DER WAALS CLUSTERS BY SCATTERING ANALYSIS [J].

BUCK, U ;

MEYER, H .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (09) :4854-4861

[8]

Buck U, 1998, ADV MOL VIB & COLLIS, V3, P127

[9] INFRARED PHOTODISSOCIATION OF SIZE-SELECTED METHANOL CLUSTERS [J].

BUCK, U ;

GU, XJ ;

LAUENSTEIN, C ;

RUDOLPH, A .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (10) :6017-6029

[10] INFRARED PHOTODISSOCIATION OF MASS-SELECTED MOLECULAR CLUSTERS [J].

BUCK, U ;

GU, XJ ;

HOBEIN, M ;

LAUENSTEIN, C ;

RUDOLPH, A .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (11) :1923-1929

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