Preparation and Structure of a Diphosphorus Compound with Positive Charges on the Two Directly Bonded Phosphorus Atoms

X-Ray spectral determination of the effe

X-Ray spectral determination of the effective charges on phosphorus, sulfur, and chlorine atoms in chemical compounds with a nonempirical charge scale

✍ G. N. Dolenko; Z. Latajka; H. Ratajczak 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 334 KB

Linear dependence between the experimental K, line shifts and Mulliken atomic charges obtained by SCF ab initio calculations with 4-31G, 4-31G, and 4-31G" basis sets for the E S, and Cl atoms have been found. The electron density redistribution of PCl, and SPCZ, free ligands o n their complexation