4.6 Article

Methyl Internal Rotation in Fruit Esters: Chain-Length Effect Observed in the Microwave Spectrum of Methyl Hexanoate

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Spectroscopy

Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry

K. P. Rajappan Nair et al.

Summary: The internal rotation and structure of chloro-fluorotoluene were studied using molecular jet Fourier transform microwave spectroscopy and quantum chemistry. Gas phase molecular structure and chlorine quadrupole coupling constants were determined and compared with other chlorotoluene derivatives.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2021)

Article Chemistry, Physical

Conformational sampling and large amplitude motion of methyl valerate

Ha Vinh Lam Nguyen et al.

Summary: The microwave spectrum of the fruit ester methyl valerate was analyzed, revealing internal rotation of the methyl group in the methoxy moiety leading to doublet splitting of rotational transitions. Quantum chemical calculations and experimental results were used to study the conformation and properties of the ester.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

Conformational changes in hydroxyl functional groups upon hydration: the case study of endo fenchol

Elias M. Neeman et al.

Summary: The study examined the hydration of endo-fenchol in the gas phase using Fourier transform microwave spectroscopy and theoretical calculations, resulting in the observation of an endo-fenchol-water complex. It was discovered that water induced an alteration in the arrangement of the hydroxyl group, stabilizing the observed species through a hydrogen bond. This study emphasized the flexibility of alcohol molecules and the impact of strong and weak hydrogen bonds on the stabilization of clusters with water.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Article Physics, Multidisciplinary

The smell of coffee: the carbon atom microwave structure of coffee furanone validated by quantum chemistry

Vinh Van et al.

CANADIAN JOURNAL OF PHYSICS (2020)

Article Chemistry, Physical

Bayesian Analysis of Theoretical Rotational Constants from Low-Cost Electronic Structure Methods

Kin Long Kelvin Lee et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2020)

Article Chemistry, Physical

Microwave Spectrum and Internal Rotations of Heptan-2-one: A Pheromone in the Gas Phase

Maike Andresen et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2020)

Article Physics, Atomic, Molecular & Chemical

Laboratory rotational spectroscopy of methyl n-propyl sulfide: Conformational analysis and methyl internal rotation

Layla Tulimat et al.

JOURNAL OF MOLECULAR SPECTROSCOPY (2020)

Article Chemistry, Physical

Internal Motions and Sulfur Hydrogen Bonding in Methyl 3-Mercaptopropionate

Weslley G. D. P. Silva et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2019)

Article Chemistry, Physical

Conformational isomers of trans-urocanic acid observed by rotational spectroscopy

Graham A. Cooper et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

Article Chemistry, Physical

Gas-phase conformations of 2-methyl-1,3-dithiolane investigated by microwave spectroscopy

Vinh Van et al.

JOURNAL OF MOLECULAR STRUCTURE (2018)

Article Chemistry, Physical

Acetyl Methyl Torsion in Pentan-2-one As Observed by Microwave Spectroscopy

Maike Andresen et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2018)

Article Physics, Atomic, Molecular & Chemical

Conformational preferences and internal rotation of methyl butyrate by microwave spectroscopy

Alicia O. Hernandez-Castillo et al.

JOURNAL OF MOLECULAR SPECTROSCOPY (2017)

Article Physics, Atomic, Molecular & Chemical

The microwave spectrum of η-hexyl acetate and structural aspects of n-alkyl acetates

T. Attig et al.

JOURNAL OF MOLECULAR SPECTROSCOPY (2014)

Article Physics, Atomic, Molecular & Chemical

Extension of the measurement, assignment, and fit of the rotational spectrum of the two-top molecule methyl acetate

Ha Vinh Lam Nguyen et al.

JOURNAL OF MOLECULAR SPECTROSCOPY (2014)

Article Physics, Atomic, Molecular & Chemical

Conformational analysis of n-pentyl acetate using microwave spectroscopy

T. Attig et al.

JOURNAL OF MOLECULAR SPECTROSCOPY (2013)

Article Physics, Atomic, Molecular & Chemical

The microwave spectrum of n-butyl acetate

T. Attig et al.

JOURNAL OF MOLECULAR SPECTROSCOPY (2013)

Article Chemistry, Physical

Structure and rotational dynamics of methyl propionate studied by microwave spectroscopy

Ha Vinh Lam Nguyen et al.

MOLECULAR PHYSICS (2012)

Article Food Science & Technology

Volatile compounds from organic and conventional passion fruit (Passiflora edulis F. Flavicarpa) pulp

Mariana Serrao Macoris et al.

CIENCIA E TECNOLOGIA DE ALIMENTOS (2011)

Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Article Chemistry, Physical

Rapid probe of the nicotine spectra by high-resolution rotational spectroscopy

Jens-Uwe Grabow et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Review Chemistry, Multidisciplinary

On the unpredictability of odor

C. S. Sell

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)

Article Food Science & Technology

Aroma profiles of pineapple fruit (Ananas comosus [L.] Merr.) and pineapple products

S Elss et al.

LWT-FOOD SCIENCE AND TECHNOLOGY (2005)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Agriculture, Multidisciplinary

Effect of fat nature and aroma compound hydrophobicity on flavor release from complex food emulsions

P Relkin et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2004)