Modified IR νNH scale for computational applications

Synthesis of Functionalized Heteroleptic Germylene Alkoxides

“…IR spectra of 6 and 9 revealed vibrations at ν = 3420 cm À 1 (6) and 3424 cm À 1 ( 9), which is typical for NH moieties. [13] The presence of the PPh 2 group in 7 and 10 was corroborated by a signal at δ À , 15.8 ( 7) andÀ , 14.4 (10) ppm in the 31 P{ 1 H} NMR spectrum. The signals are shifted downfield in comparison to P!Ge coordinated germylenes ArGe[CH(Ph)PPh 2 ] and 1-GeAr-2-PR 2 À C 6 H 4 (Ar = Trip 2 C 6 H 3 , Mes 2 C 6 H 3 ; R=Ph, iPr, Cy; Trip = 2,4,6-iPr 3 C 6 H 2 ; Mes = 2,4,6-Me 3 C 6 H 2 ) ranging from δ À 26.0 to À 69.2 ppm.…”

“…Presence of the OH group was also confirmed by IR spectroscopy, where a vibration at ν = 3482 cm À 1 , typical for the OH moiety, was observed. [13] Additionally the functionalized Ge(II) alkoxides 9 and 11 were characterized by X-ray diffraction analysis (for crystallographic parameters see Tables S3À zS6 in Supporting Information). Molecular structures of 9 and 11 are depicted at Figures 5 and 6.…”

“…Compounds 1 and L 2 (Cl)Ge were prepared according to literature procedures. [8d,18] The 1 H, 13 C{ 1 H}, 31 P{ 1 H} and 119 Sn{ 1 H} NMR spectra were acquired with a Bruker 500 NMR spectrometer. The 1 H and 13 C { 1 H} NMR spectra were referenced internally to residual protiosolvent and solvent resonances, respectively, and are reported relative to Me 4 Si (δ = 0 ppm).…”

“…[8d,18] The 1 H, 13 C{ 1 H}, 31 P{ 1 H} and 119 Sn{ 1 H} NMR spectra were acquired with a Bruker 500 NMR spectrometer. The 1 H and 13 C { 1 H} NMR spectra were referenced internally to residual protiosolvent and solvent resonances, respectively, and are reported relative to Me 4 Si (δ = 0 ppm). 11 B{ 1 H}, 31 P{ 1 H} and 119 Sn{ 1 H} NMR spectra were referenced externally to BF 3 • OEt 2 , H 3 PO 4 (85 %), Me 4 Sn (δ = 0 ppm).…”

“…suggests cis coordination of the phosphane to [W(CO) 4 ] fragment in 13. [17] In the 13 C{ 1 H} NMR spectrum of 13, CO groups resonated at δ 203.9, 206.3, 206.4 and 207.2 ppm and the IR spectrum of 13 revealed vibrations at ν = 2004, 1902, 1884 and 1853 cm À 1 . In the 11 B{ 1 H} NMR spectrum of 14, two signals at δ À 32.7 and À 36.7 were observed.…”