Silane, difluorodimethyl-
- Formula: C2H6F2Si
- Molecular weight: 96.1513
- IUPAC Standard InChIKey: XRRDNAZMVAXXQP-UHFFFAOYSA-N
- CAS Registry Number: 353-66-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Difluorodimethylsilane; Dimethyldifluorosilane; (CH3)2SiF2
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Gas phase ion energetics data
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.03 ± 0.03 | PI | Murphy and Beauchamp, 1977 | LLK |
11.5 | PE | Roberge, Sandorfy, et al., 1978 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3F2Si+ | 11.70 ± 0.03 | CH3 | PI | Murphy and Beauchamp, 1977 | LLK |
De-protonation reactions
C2H5F2Si- + =
By formula: C2H5F2Si- + H+ = C2H6F2Si
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 380.0 ± 4.6 | kcal/mol | G+TS | Allison and McMahon, 1990 | gas phase; Between PhCH3, HCF3; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 371.5 ± 4.5 | kcal/mol | IMRB | Allison and McMahon, 1990 | gas phase; Between PhCH3, HCF3; B |
Ion clustering data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: CN- + C2H6F2Si = (CN- • C2H6F2Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 ± 1.0 | kcal/mol | IMRE | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30. | cal/mol*K | N/A | Larson, Szulejko, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
By formula: F- + C2H6F2Si = (F- • C2H6F2Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.5 ± 5.0 | kcal/mol | IMRB | Murphy and Beauchamp, 1977, 2 | gas phase; Fluoride Affinity: SF4<Me2SiF2<Me3B; B |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | R.W.CRAWFORD UNIV. OF CALIFORNIA, LIVERMORE, CALIFORNIA, USA |
NIST MS number | 887 |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L.,
Photoionization mass spectrometry of the fluoromethylsilanes (CH3)n F4-nSi (n = 1-4),
J. Am. Chem. Soc., 1977, 99, 2085. [all data]
Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P.,
The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives,
J. Chem. Phys., 1978, 69, 5105. [all data]
Allison and McMahon, 1990
Allison, C.E.; McMahon, T.B.,
How Strong is the Si=C Bond in Fluoro- and Methyl Substituted Silaethylenes? An Experimental Determination of Pi Bond Strengths,
J. Am. Chem. Soc., 1990, 112, 5, 1672, https://doi.org/10.1021/ja00161a002
. [all data]
Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B.,
Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements.,
J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004
. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Murphy and Beauchamp, 1977, 2
Murphy, M.K.; Beauchamp, J.L.,
Methyl and Fluorine Substituent Effects on the Gas Phase Lewis Acidities of Silanes by ICR Spectroscopy,
J. Am. Chem. Soc., 1977, 99, 15, 4992, https://doi.org/10.1021/ja00457a017
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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