Microwave spectrum of tertiary-butylphosphine

Gas electron diffraction then and now: from trisilyl phosphine to iso-propyl(tert-butyl)(trichlorosilyl)phosphine

“…7,11,14 The GED refinement for the combined study yields rP-C t = 189.2(4) pm. Corresponding P-C distances determined in previous studies of similar molecules are: P(tBu) 3 [191.9(5) pm], 14 P(tBu)(SiCl 3 ) 2 [190.6(6) pm], 11 P(tBu) 2 SiCl 3 [192.5(10) pm], 7 P(tBu)H 2 [189.6 pm], 27 (determined by microwave spectroscopy), P(tBu) 2 Cl [189.4(5) pm], 28 and P(tBu) 2 F [185.9(6) pm]. 14 The most striking variation in this group is the shortening correlated with the presence of electron-withdrawing substituents, countered by lengthening when there is steric crowding.…”

Molecular mechanics (MM4) force field development for phosphine and its alkyl derivatives

“…Durig and co-workers 22 concluded that the PÀC bond length in tert-butylphosphine is longer than in any other alkylphosphines. This conclusion was confirmed by our MM4 calculations, as well as by previous MM3 results.…”

“…22 Because of the limited amount of isotopic substitution, some assumptions were made when the structure was solved, including the assumption that PH 2 moiety was the same as the one in methylphosphine. As shown in Table 12, both MM3 and MM4 calculated the structure of this molecule satisfactorily.…”

“…Experimental structural data were found in the literature for phosphine, 6,7 methylphosphine, 8,10,11 dimethylphosphine, 8,12 trimethylphosphine, 9,13À15 ethylphosphine, 16,17 isopropylphosphine, 18,19 ethyldimethylphosphine, 20,21 and tert-butylphosphine. 22,23 The molecular structures were determined from either electron diffraction or microwave spectroscopy, while almost all of their vibrational frequencies are available from infrared, Raman, or microwave spectroscopy.…”

Synthesis, Microwave Spectrum, Quantum Chemical Calculations, and Conformational Composition of a Novel Primary Phosphine, Cyclopropylethynylphosphine, (C3H5C≡CPH2)

“…The conformational, structural, and dynamical properties of many primary phosphines have been studied by microwave (MW) spectroscopy in the past. These studies include CH 3 PH 2 , (CH 3 ) 2 PH, , (CH 3 ) 3 CPH 2 , (CH 3 ) 3 P, (CH 3 ) 2 CHPH 2 , CH 3 CH 2 PH 2 , , cyclopropylphosphine (C 3 H 5 PH 2 ), phenylphosphine (C 6 H 5 PH 2 ), H 2 PCH 2 CH 2 CN, HCCPH 2 , H 2 CCHPH 2 , , H 2 PCH 2 CH 2 PH 2 , HCCCH 2 PH 2 , H 2 CCHCH 2 PH 2 , H 2 CCCHPH 2 , phosphirane (C 2 H 5 P), cyclopropylmethylphosphine (C 3 H 5 CH 2 PH 2 ), cyclopentadienylphosphine (C 5 H 5 PH 2 ), (chloromethyl)phosphine (ClCH 2 PH 2 ), and (2-chloroethyl)phosphine, (ClCH 2 CH 2 PH 2 ) . While one conformer exists for most of these phosphines, the existence of two or more rotameric forms have been seen for each of CH 3 CH 2 PH 2 , , H 2 PCH 2 CH 2 CN, H 2 PCH 2 CH 2 PH 2 , H 2 CCHCH 2 PH 2 , H 2 CCCHPH 2, C 3 H 5 CH 2 PH 2 , C 5 H 5 PH 2 , and ClCH 2 PH 2 .…”