Weak Hydrogen Bond in Cl₃CH· · ·O═P(n-Bu)₃

Abstract

The phosphoryl group (P═O) is able to form hydrogen bonds with the relatively low acidic atoms like in C═H· · · · O═P system. In this article, we present experimental and theoretical investigations on the C═H· · · · O═P hydrogen bond for the complex of tributylphosphine oxide and chloroform.

Keywords:

• Chloroform
• phosphino oxide
• weak hydrogen bond

Acknowledgments

Dedicated to Professor Marian Mikołajczyk, CBMiM PAN in Łódź, Poland, on the occasion of his 70th birthday.

Calculations were performed at the Wrocław Centre for Networking and Supercomputing (WCSS), Poznan Supercomputing Networking Center (PCSS), and Academic Computer Centre in Gdansk (CI TASK). The authors thank Dr. Marek Daszkiewicz (PAN) for help in analyzing crystallographic data, and MSc Agata Malinowska (maiden name Napieracz) for repeat NMR experiments using solvent cycklohexane as solvent.³⁶ The measured values of K by Malinowska in cyklohexane were in accordance with the presentation date.