Non-additive intermolecular forces from the spectroscopy of van der Waals trimers: far-infrared spectra and calculations on Ar2-DCI

نویسندگان

  • RICHARD J. SAYKALLY
  • JEREMY M. HUTSON
چکیده

The far-infrared vibration-rotation spectrum of the out-of-plane DC1 bending band of Ar2-DC1 is observed around 36.0cm -1. The experimental bending frequency, rotational constants and hyperfine coupling constants are compared with the results of calculations employing both pairwise-additive and non-additive interaction potentials. As found previously for Ar2-HC1, there are substantial discrepancies between the experimental results and calculations employing a pairwise-additive potential. To explain the discrepancy it is necessary to include a non-additive term that arises from the interaction of the permanent multipoles of the DC1 monomer with an overlap-induced quadrupole on Ar 2. The new spectra should prove very valuable in a future determination of the non-additive contribution to the potential.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Modeling of the intermolecular Force-Induced Adhesion in Freestanding Nanostructures Made of Nano-beams

Among the intermolecular interactions, the Casimir and van der Waals forces are the most important forces that highly affect the behavior of nanostructures. This paper studies the effect of such forces on the adhesion of cantilever freestanding nanostructures. The nanostructures are made of a freestanding nano-beam which is suspended between two upper and lower conductive surfaces. The linear s...

متن کامل

Far-Infrared Laser Spectroscopy of van der Waals Bonds: A Powerful New Probe of Intermolecular Forces

“Molecular mechanics”-large-scale computer modeling of molecular structure and function-has become one of the most rapidly expanding activities in chemistry and biology. As increasing numbers of scientists turn to these semiempirical computer codes in order to design new drugs, catalysts, artificial enzymes, etc., our incomplete knowledge of the. “weak interactions” of chemistry-van der Waals f...

متن کامل

Buckling of multi wall carbon nanotube cantilevers in the vicinity of graphite sheets using monotone positive method

In this paper, a monotone positive solution is studied for buckling of a distributed model of multi walled carbon nanotube (MWCNT) cantilevers in the vicinity of thin and thick graphite sheets subject to intermolecular forces. In the modeling of intermolecular forces, Van der Waals forces are taken into account. A hybrid nano-scale continuum model based on Lennard–Jones potential is applied to ...

متن کامل

Intracavity Far Infrared Laser Spectroscopy of Supersonic Jets: Direct Measurement of the Vibrational Motions in van der Waals Bonds

Molecules held together by van der Waals forces generally posess bond strengths which are -0 1-1.0% of normal chemical bonds, i.e. 0.1-1.0 Kcal/mole (.35-350 cmi ). Such extremely weak bonds exhi~it vibrational frequencies which lie in the far-infrared, eq. 10-100 cm(1000-100 11m). In order to measure vibration-rotation spectra of van der Waals bonds, one must devise a method which possesses ve...

متن کامل

A Modified van der Waals Mixture Theory for Associating Fluids: Application to Ternary Aqueous Mixtures

In this study a simple and general chemical association theory is introduced. The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the application of presented theory to the van der Waals mixture model is introduced in order to p...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2006