CALCULATED SPECTRA FOR THE N2-AR VANDERWAALS COMPLEX

被引：35

作者：

AYLLON, AG ^{[1
]}

SANTAMARIA, J ^{[1
]}

MILLER, S ^{[1
]}

TENNYSON, J ^{[1
]}

机构：

[1] UNIV LONDON UNIV COLL,DEPT PHYS & ASTRON,LONDON WC1E 6BT,ENGLAND

来源：

MOLECULAR PHYSICS | 1990年 / 71卷 / 05期

关键词：

D O I：

10.1080/00268979000102301

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：

Calculations are presented that estimate the energies of all the truly bound states of the N2-Ar van der Waals complex using a semi-empirical potential-energy surface. An effective dipole surface is constructed by comparison with the infrared spectra of McKellar. These spectra are reproduced by convoluting the 30 000 strongest transitions with suitable temperature- and pressure-dependent line profiles. These synthetic spectra reproduce the observed experimental features, supporting and extending McKellar's assignments. Some of the peaks are shifted to higher frequency, suggesting that the bending potential is slightly too stiff. The corresponding 'pure' (far-infrared) spectra of the van der Waals complex are also synthesized. These do not show the low-frequency features seen in the infrared spectra.

引用

页码：1043 / 1054

页数：12

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