𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculated inversion barriers and proton affinities for P(CH3)3 and P(C6H5)3

✍ Scribed by Cynthia A. Jolly; Fora Chan; Dennis S. Marynick

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
419 KB
Volume
174
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

The inversion barriers and proton affinities for trimethyl-and triphenyl-phosphine have been calculated using large basis set single-determinant ab initio calculations. The estimated inversion barrier for trimetbylphosphine was calculated to be 47.5 kcal/ mol, while the corresponding barrier in triphenylphosphine is estimated at 35.1 kcal/mol. The proton affinities for trimethylphosphine and triphenylphosphine were found to be 240.2 and 250.6 kcal/mol, respectively.

📜 SIMILAR VOLUMES

Molecular Structure Determination and Sp
Molecular Structure Determination and Spectroscopic Investigation of {Mn (CO)4 [S- (C6H5) 2P-N (CH3) [CH(CH3) (C6H5)]]}2
✍ J. Meunier-Piret; M. van Meerssche; M. Gielen; I. Vanden Eynde 📂 Article 📅 2010 🏛 Wiley (John Wiley & Sons) ⚖ 199 KB 👁 2 views

SUNl4ARY reported. (Co(C0) I (C~HS)ZP-N(CHI) ICH(CH3) (Cdi,)] 1 2 are compared. Synthesis and molecular structure determination of the title compound are The W R spectra of (M~'I~(CO)\*(C~HS)IP-N(CHI) ICH(CH3) (C6Ha)I )Z and CRYSTAL STRUCTURE The crystals are monoclinic with ( I = 11.713(6), b -19.5

Molecular Structure of [η-C5H5(CO)2ReC(C
Molecular Structure of [η-C5H5(CO)2ReC(C6H5)P(CH3)3][BCl4]
✍ Dr. Fritz R. Kreissl; Dipl.-Chem. Peter Friedrich 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 215 KB 👁 1 views

The crystallographic dataC3] and the molecular dimensions of ( 4 ) and ( ) are almost identical. We thus have one of those rare cases in which analyses and spectraL4] are more significant in identifying the compounds than structure determination. The most important structural characteristic of ( 4 )