Reaction betweentBuMgCl and SnCl4, Illustrating the Solvent-Dependent Predominant Formation of Cl(tBu2Sn)nCl (THF,n= 1; Toluene,n= 2; Hexane,n= 3) and the Subsequent Wavelength-Selective Photochemical Transformation ofn= 3 → 2 → 1

Sharma, Hemant; Miramontes, Alma; Metta‐Magaña, Alejandro J.; Pannell, Keith H.

doi:10.1021/om200548s

Cited by 5 publications

(2 citation statements)

References 44 publications

(17 reference statements)

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“…Tin trimers have previously been synthesized by metalhalogen exchange reactions, such as that described by Dräger for 8 [16], or more recently by the preparation described by Pannell et al of the dichlorinated tristannane, Cl-[(t-Bu) 2 Sn] 3 -Cl, from the reaction of (t-Bu)MgCl with SnCl 4 in hexane [46]. A tin trimer was also prepared by the hydrostannolysis of one equivalent of (t-Bu) 2 SnH 2 with two equivalents of di(n-butyl)(dimethylamino)(2-ethox yethyl)stannane in the presence of a strong base [47].…”

Section: Synthesis and Characterization Of Tin Trimers 1-7mentioning

confidence: 99%

Linear Oligostannanes: A Synthetic and TD-DFT Study

Harrypersad

Liao

Khan

et al. 2015

J Inorg Organomet Polym

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A series of model linear tristannanes [(( 1 R) 3-Sn) 2 ( 2 R) 2 Sn (1: 1 R = 2 R = n-Bu, 2: 1 R = Ph, 2 R = n-Bu, 3: 1 R = Me, 2 R = n-Bu, 4: 1 R = n-Bu, 2 R = Ph, 5: 1 R = Me, 2 R = Ph, 6: 1 R = n-Bu, 2 R = Me, 7: 1 R = Ph, 2 R = Me)] were prepared by condensation reactions of one equivalent of a dialkyl or diaryl tin diamide or dihydride and two equivalents of a trialkyl or triaryl tin hydride or amide respectively, and characterized by NMR ( 1 H, 13 C, 119 Sn) and UV-Vis spectroscopy, and elemental analysis. An LSDA/SDD level of DFT and TD-DFT for trimers 1-7 predicts significant structural differences as a function and nature of the substituents bound to tin and calculated electronic transitions for these compounds in fair relative agreement with experimental results. Calculated electronic spectra obtained from equivalent DFT studies of the sequentially lengthened oligomers Ph 3 Sn[t-Bu 2 Sn] n SnPh 3 (8-11 where n = 1-4) previously prepared by Dräger are in good agreement with the reported experimental UVVisible spectroscopic and X-ray diffraction data which show a red shift of the r-r* absorption transition (k max ) and bond lengthening and bond angle widening of the central tin atoms as the oligostannane is extended. TD-DFT studies of the alkoxy terminated di(n-butyl) oligostannanes 12a-m (CH 3 CH 2 OCH 2 CH 2 [Sn(n-Bu) 2 ] n CH 2 CH 2 OCH 2 CH 3 ); n = 3-15) indicate lower limiting energy gaps as the polymer chain size is increased. The calculated data deviates significantly from results found experimentally by Sita and suggests that even smaller energy gaps are possible if the polymer (13) resides in an all trans configuration. TD-DFT studies at the LSDA/SDD level were also carried out on a model polystannane 16 (H[SnH 2 ] n H, n = 1-40) to investigate the impact of Sn catenation on the intrinsic band gap of the material and compared to both the Si and Ge analogues 14 and 15 (H[MH 2 ] n H, M = Si, Ge: n = 1-40). The modelling of the polymetallanes reveals the expected limiting energy gap of the r-r* transition in a trans-planar configuration with Sn (2.681 eV) \ Ge (3.096 eV) \ Si (3.719 eV) in good agreement with previous studies by Takeda. Finally, comparison of the TD-DFT calculated data for model alternating oligostannanes (17)(18)(19) with the UV-Vis spectroscopic data for alternating polystannanes (20-22) recently prepared by polycondensation is made.

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Section: Synthesis and Characterization Of Tin Trimers 1-7mentioning

confidence: 99%

Linear Oligostannanes: A Synthetic and TD-DFT Study

Harrypersad

Liao

Khan

et al. 2015

J Inorg Organomet Polym

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“…with two equivalents of di(n-butyl)(dimethylamino)(2-ethoxyethyl)stannane in the presence of a strong base. 72 Organotristannanes have been isolated in low yield as byproducts of the reduction of triorganotin oxide with formic acid in attempt to form simple distannanes. 73 By comparison to these methods, the model trimers 9-15 (Figure 2) in this study were prepared in good yields (75-…”

Section: 41-synthesis and Characterization Of Tin Trimers 9-15mentioning

confidence: 99%

Alternating polystannanes: synthesis, preparation, characterization and a computational study

Harrypersad¹

2021

Preprint

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Polystannanes have been synthesized by a number of useful routes. Generally, these polymers have been limited to homopolymers containing a single type of substituent. We now demonstrated a novel condensation polymerization utilizing dialkyl or diaryl tin dihydrides and dialkyl tin diamides to prepare alternating polymers with neighbouring tin centers possessing different group functionalities. Three new alternating polystannanes containing both organically solubilizing (n-Bu, Me) and less solubilizing (Ph) side groups as well as the homopolymer dibutylpolystannane have been prepared. A variety of closely related model tristannanes using the same synthetic methodology was also completed. We have also carried out a computational study of a number of model stannanes in order to optimize structures of the oligo- and polystannanes synthetically prepared and predict their spectral properties by using time dependent density functional theory (TD-DFT). This study has yielded results that can be influential in predicting chemical orientation, bonding properties and electronics.

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Germanium, Tin and Lead

Fulton¹

2021

Comprehensive Coordination Chemistry III

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Reaction between^tBuMgCl and SnCl₄, Illustrating the Solvent-Dependent Predominant Formation of Cl(^tBu₂Sn)_nCl (THF,n= 1; Toluene,n= 2; Hexane,n= 3) and the Subsequent Wavelength-Selective Photochemical Transformation ofn= 3 → 2 → 1

Cited by 5 publications

References 44 publications

Linear Oligostannanes: A Synthetic and TD-DFT Study

Linear Oligostannanes: A Synthetic and TD-DFT Study

Alternating polystannanes: synthesis, preparation, characterization and a computational study

Germanium, Tin and Lead

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