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Structural evidence for Pπ-Pπ conjugation in aminosubstituted phosphaalkynes

✍ Scribed by Alexander N. Chernega; Georg N. Koidan; Anatoly P. Marchenko; Anatoly A. Korkin

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
376 KB
Volume
4
Category
Article
ISSN
1042-7163

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✦ Synopsis

Abstract

The molecular structure of 2,2,6,6‐tetramethylpiperidinophosphaalkyne was determined by the X‐ray structural method. The main geometrical parameters are as follows: PC 1.559(2), NC(sp) 1.316(2) Å, PCN 178.9(1)°, with an almost planar trigonal bond configuration for the N atom and the chair conformation of the piperidine ring. Structural evidence for the nitrogen lone pair conjugation with the π‐system of the triple bond was found to be different in phosphaalkynes PC‐NR~2~ and nitriles NCNR~2~. Quantum‐chemical ab initio calculations (HF/631G*) showed that this is caused by a different character of polarization of the PC and NC triple bonds.

📜 SIMILAR VOLUMES

Peculiarities of pπpπ conjugation in ami
Peculiarities of pπpπ conjugation in aminosubstituted phosphaalkenes
✍ Alexander N. Chernega; Alexander V. Ruban; Vladislav D. Romanenko; Leonid N. Mar 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 955 KB

Effects of p,,-pm conjugation in phosphaalkenes have been considered by taking into account the results of X-ray structural studies and ab initio quantum-chemical calculations. The structural consequences of the conjugation depend to a certain extent on the character of the substituent and the place