WebThe electronic ground state and first excited state (Ã 2 Σ +) of phosphaethyne cation (HCP +) have been systematically investigated using ab initio electronic structure theory. The total energies, geometries, rotational constants, dipole moments, harmonic vibrational frequencies, and parameters for Renner–Teller splittings were determined using self … WebMar 1, 1982 · INTRODUCTION The molecule phosphaethyne, HC=P, originally reported by Gier in 1961 (ref. 1) was the first example of a molecule in which trivalent phosphorus forms a triple bond. This molecule is the phosphorus analogue of hydrogen cyanide, HC-N.
Reactions of halocarbenes with phosphaalkyne. Formation of …
WebMay 1, 2000 · ABSTRACT. A new potential energy surface for the electronic ground state of HCP (phosphaethyne) is presented. The ab initio calculations are based on the internally … WebEnter the email address you signed up with and we'll email you a reset link. east lothian property to rent
Phosphaethyne SpringerLink
WebThe successful synthesis of phosphaethyne or methino-phosphide HCP in 1961 by Gier was the first report of a molecule containing a multiple bond between phosphorus and carbon. 1. Gier observed bands in the infrared IR absorp-tion spectrum that compared favorably to assumed C–H stretching frequencies and H–C–X bending frequencies. Fail- WebOct 25, 2006 · High-level ab initio (CCSD(T), CBS-QB3 and CASSCF, CASPT2, MR-ACPF, MR-ACPF-2) and density functional theory (B3LYP) calculations were carried out to study the dimerization of phosphaacetylene or phosphaethyne (HCP). Seventeen low energy closed-shell and five open-shell phosphaacetylene dimers were found on the potential energy … WebDiscovery of Phosphaethyne (HCP) in Space: Phosphorus Chemistry in Circumstellar Envelopes - NASA/ADS We present the first detection in space of phosphaethyne, the phosphorus analog of HCN. We have observed with the IRAM 30 m telescope four successive rotational transitions of HCP in the AGB star envelope IRC +10 216. cultural self awareness