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• W2002168610 startingPage "265" @default.
• W2002168610 abstract "The structure of methyl acetate was studied by joint analysis of gas phase electron diffraction, microwave and IR data, using constraints taken from relaxed 4-21G gradient geometry and force field calculations. All data are in accord with a planar heavy-atom skeleton in the syn conformation. The geometry of methyl acetate in the gas phase is essentially equal to that in the crystal. Some rg—re corrections have been evaluated. Subject to the ab initio constraints the following internal coordinates (r0αstructure) have been found: CO = 1.206 Å, H3CO = 1.438 Å, CO = 1.357 Å, CC = 1.496 Å, 〈CH〉 = 1.078 Å, ∠COC = 116.4°, ∠;OCO = 123.0°." @default.
• W2002168610 created "2016-06-24" @default.
• W2002168610 creator A5052793884 @default.
• W2002168610 creator A5079567785 @default.
• W2002168610 creator A5089427195 @default.
• W2002168610 date "1986-05-01" @default.
• W2002168610 modified "2023-10-12" @default.
• W2002168610 title "Structure of gaseous methyl acetate as determined by joint analysis of electron diffraction, microwave and infrared spectroscopy, supplemented by a valence force field and constraints from geometry relaxed ab initio calculations" @default.
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• W2002168610 doi "https://doi.org/10.1016/0022-2860(86)85005-0" @default.
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