Separation of Boron Isotopes. VIII. BF3 Addition Compounds of Dimethyl Ether, Dimethyl Sulfide, Dimethyl Selenide, Dimethyl Telluride, Dibutyl Ether, and Ethyl Formate

1967 ◽  
Vol 46 (6) ◽  
pp. 2297-2300 ◽  
Author(s):  
A. A. Palko ◽  
J. S. Drury
Keyword(s):  
Dimethyl Ether ◽  
Dimethyl Sulfide ◽  
Ethyl Formate ◽  
Boron Isotopes ◽  
Dibutyl Ether ◽  
Dimethyl Selenide

scholarly journals Modelling Changes in Volatile Compounds in British Columbian Varietal Wines that Were Bottle Aged for Up to 120 Months

Beverages ◽  
2019 ◽  
Vol 5 (3) ◽  
pp. 57
Author(s):  
Bejaei ◽  
Cliff ◽  
Madilao ◽  
vanVuuren
Keyword(s):  
Volatile Compounds ◽  
Dimethyl Sulfide ◽  
Ethyl Formate ◽  
Pinot Noir ◽  
Gas Chromatography Mass Spectrometry ◽  
Parameter Estimates ◽  
Diethyl Succinate ◽  
Isobutyl Acetate ◽  
First Time ◽  
Ethyl Decanoate

This research quantified 46 volatile compounds in vintage wines (1998–2005) from British Columbia (BC), which had been bottle-aged for up to 120 months. Wines were analyzed up to five times, between December 2003 and October 2008. Compounds were identified using gas chromatography mass spectrometry (GC-MS) and their concentrations were related to “wine age” using single linear regression (SLR). SLR models were developed for each wine compound (eight alcohol, 12 ester/acetate, one acid, one aldehyde, one sulfur) in eight varietal wines: six red (Cabernet franc, Cabernet Sauvignon, Meritage, Merlot, Pinot noir, Syrah) and two white (Chardonnay, Pinot gris). Parameter estimates (b0, intercept; b1, slope) and R2 values for models were reported for each compound and each variety. Most of the significant SLR models (109/123) had negative slopes (−b1 coefficients), indicating a decrease in the compounds’ concentration with “wine age”. The b1 coefficients were very small for isobutyl acetate, ethyl isovalerate and ethyl decanoate (−0.00013 to −0.0006 mg/L/mon) and largest (most negative) for 3-methyl-1-butanol, ethyl lactate and isobutyl alcohol (−2.26 to −6.26 mg/L/mon). A few SLR models (14/123) had positive slopes (+b1 coefficients), indicating an increase in the compounds’ concentration with “wine age”, particularly for acetaldehyde, diethyl succinate, ethyl formate and dimethyl sulfide. The +b1 coefficients were smallest for ethyl decanoate (0.0001 mg/L/mon) and dimethyl sulfide (0.00024 mg/L/mon) and largest for dimethyl succinate and acetaldehyde (0.06 mg/L/mon). These values varied by four orders of magnitude (104), reflecting the large concentration range observed for the different volatile compounds. The work provided, for the first time, an empirical (non-theoretical) approach to documenting the evolution of volatile compounds in BC wines. It equipped the industry with an easy-to-use new tool for predicting the concentration of desirable or undesirable compounds in their wines and assisted the industry with decision making regarding the release of their wines into the marketplace.

THE ORIGIN OF THE ROTATIONAL BARRIER IN DIMETHYL ETHER AND DIMETHYL SULFIDE: A THEORETICAL STUDY

2007 ◽  
Vol 06 (03) ◽  
pp. 421-434 ◽  
Author(s):  
JÍMENEZ-FABIAN ◽  
A. F. JALBOUT
Keyword(s):  
Dimethyl Ether ◽  
Density Functional ◽  
Dimethyl Sulfide ◽  
Nbo Analysis ◽  
Rotational Barrier ◽  
Basis Sets ◽  
Functional Theory ◽  
Hartree Fock ◽  
Torsional Potential ◽  
Methyl Rotation

The torsional potential function for methyl rotation in dimethyl ether (DME) and dimethyl sulfide (DMS) has been determined by utilizing ab initio (Hartree–Fock and MP2) and density functional theory (B3LYP, B3P86, and B3PW91) methods along with several basis sets. Natural bond orbital (NBO) analysis was also applied to investigate the origin of the rotational barrier.

Sign in / Sign up

Export Citation Format

Share Document