Web2-(Sodiooxy)-1-phosphaethyne CNaOP CID 57503832 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, … 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 …
Discovery of Phosphaethyne (HCP) in Space: Phosphorus
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 … 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 … dyrd sscnwr.org sunilranjan73 gmail.com
Vibrational frequencies from anharmonic ab initio ... - ScienceDirect
Methylidynephosphane (phosphaethyne) is a chemical compound which was the first phosphaalkyne compound discovered, containing the unusual C≡P carbon-phosphorus triple bond. WebJan 1, 1990 · 2-(2,4,6-Tri-t-butylphenyl)-1-phosphaethyne reacted with halocarbenes to give 2,4,6-tri-t-butylphenylacetylenes; the reaction might proceed via successive 1- and 2-phosphirene intermediates followed by elimination of chlorophosphinidene. Web1-Phosphaethyne, 2-(trimethylsilyl)-Formula: C 4 H 9 PSi; Molecular weight: 116.1735; CAS Registry Number: 75192-38-0; Information on this page: Gas phase ion energetics data; References; Notes; Options: Switch to calorie-based units cs buck\u0027s-horn