LAUSR.org creates dashboard-style pages of related content for over 1.5 million academic articles. Sign Up to like articles & get recommendations!

Computational approaches and sigma-hole interactions: general discussion.

Photo by impulsq from unsplash

Anthony Legon opened the discussion of the Introductory Lecture by Timothy Clark: In your lecture, you mentioned some ab initio calculations carried out on the weakly bound complex formed between… Click to show full abstract

Anthony Legon opened the discussion of the Introductory Lecture by Timothy Clark: In your lecture, you mentioned some ab initio calculations carried out on the weakly bound complex formed between argon and Br2, which you predict to have a T-shaped geometry with the Ar atom forming the stem of the T and the Br– Br as the bar. As far as I am aware, this complex has not been investigated experimentally but the analogous complex (Ar,Cl2) has. The rotational spectrum of (Ar, Cl2) was observed and analysed by the late Michael Gerry and co-workers 1 by using a pulsed-jet Fourier-transform microwave spectrometer. They determined the geometry to be that shown (to scale) in Fig. 1. They searched carefully for the spectrum of the linear isomer Ar/Cl–Cl but did not detect it. At the very

Keywords: geometry; sigma hole; hole interactions; approaches sigma; computational approaches; discussion

Journal Title: Faraday discussions
Year Published: 2017

Link to full text (if available)


Share on Social Media:                               Sign Up to like & get
recommendations!

Related content

More Information              News              Social Media              Video              Recommended



                Click one of the above tabs to view related content.