The intricate conformational landscape of a flexible, long-chain fluoroalcohol was explored using rotational spectroscopy and theoretical calculations, revealing synergistic interplay between London dispersion interactions and hydrogen bonds.

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Year:

2024

Rotational Spectroscopy of the Acetone‐Water Complex: Large Amplitude Motions

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Year:

2024

Unlocking a new hydrogen-bonding marker: C–O bond shortening in vicinal diols revealed by rotational spectroscopy

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Year:

2024

Conformational distributions of tetrahydro-2-turoic acid in water at different pH values by their IR and vibrational circular dichroism spectra

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Year:

2024

Binary conformers of a flexible, long-chain fluoroalcohol: dispersion controlled selectivity and relative abundances in a jet

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Year:

2024

Conformational adaptation and large amplitude motions of 1-phenyl-2,2,2-trifluoroethanol with two water molecules: a rotational spectroscopic and ab initio investigation

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Year:

2024

Tunneling and conformational preferences in racemic- and meso-2,4-pentanediol: A rotational spectroscopic and theoretical investigation

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Year:

2024

The Effect of Hyperconjugation and Hydrogen Bonding on the Conformers of Methylated Monosaccharides

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Year:

2024

Modulating the Amine–CO2 Interaction Strength: Toward Efficient Carbon Capture

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Year:

2024

Infrared and vibrational circular dichroism spectra of methyl β‐D‐glucopyranose in water: The application of the quantum cluster growth and clusters‐in‐a‐liquid solvation models

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Year:

2023

Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations

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Year:

2023

Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations

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Year:

2023

Chirality Discrimination at Binary Organic|Water Interfaces Monitored by Interfacial Tension Measurements with Preliminary Comparison with Molecular Dynamics Simulations

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Year:

2023

Rotational spectra of singly substituted rare isotopologues of two conformers of 3,3,3-trifluoropropanol

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Year:

2023

Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy

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Year:

2023

Rotational spectroscopy of hydrogen-bonded binary trifluoro-propanol conformers: conformational diversity, preference and abundances in a jet expansion

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Year:

2023

Wetting vs Droplet Aggregation: A Broadband Rotational Spectroscopic Study of 3‐Methylcatechol⋅⋅⋅Water Clusters

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Year:

2023

Wetting vs Droplet Aggregation: A Broadband Rotational Spectroscopic Study of 3‐Methylcatechol⋅⋅⋅Water Clusters

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Year:

2023

Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses

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Year:

2023

Virtual Issue on Chiroptical Spectroscopy

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Year:

2023

Rotational Spectroscopy of the 2,2,3,3,3‐Pentafluoropropanol⋅⋅⋅Water Complex: Conformations and Large Amplitude Motions

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Year:

2022

Alternating 1-Phenyl-2,2,2-Trifluoroethanol Conformational Landscape With the Addition of One Water: Conformations and Large Amplitude Motions

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Year:

2022

Rotational Spectroscopy of 2‐Furoic Acid and Its Dimer: Conformational Distribution and Double Proton Tunneling

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Year:

2022

Collaborators (3)

Martin Suhm

Professor of Physical Chemistry

University of Göttingen

GERMANY

Jiarui Ma

University of Alberta

CANADA

Wolfgang Jaeger

University of Alberta

CANADA

Yunjie Xu

Research Interests

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Articles (28)

Rotational and vibrational spectroscopy of a weakly bound hexafluoroisopropanol⋯dinitrogen complex: 14N hyperfine splittings, molecular geometry, and experimental benchmarks

Quantum Tunneling Fingerprints of Chirality-Induced Symmetry Preferences in Methyl Lactate Dimer

Vibrational Circular Dichroism Spectra of Atomically‐Precise Metal Clusters: Unveiling Conformational Structures and Mechanism of VCD Enhancement via Full Models

Conformers of the α-Pinene···Water Complex and Their Atmospheric Impacts: Insights from Rotational Spectroscopy

Chiroptical Spectroscopy, Theoretical Calculations, and Symmetry of a Chiral Transition Metal Complex with Low-Lying Electronic States

Binary conformers of a flexible, long-chain fluoroalcohol: dispersion controlled selectivity and relative abundances in a jet

Rotational Spectroscopy of the Acetone‐Water Complex: Large Amplitude Motions

Unlocking a new hydrogen-bonding marker: C–O bond shortening in vicinal diols revealed by rotational spectroscopy

Conformational distributions of tetrahydro-2-turoic acid in water at different pH values by their IR and vibrational circular dichroism spectra

Binary conformers of a flexible, long-chain fluoroalcohol: dispersion controlled selectivity and relative abundances in a jet

Conformational adaptation and large amplitude motions of 1-phenyl-2,2,2-trifluoroethanol with two water molecules: a rotational spectroscopic and ab initio investigation

Tunneling and conformational preferences in racemic- and meso-2,4-pentanediol: A rotational spectroscopic and theoretical investigation

The Effect of Hyperconjugation and Hydrogen Bonding on the Conformers of Methylated Monosaccharides

Modulating the Amine–CO2 Interaction Strength: Toward Efficient Carbon Capture

Infrared and vibrational circular dichroism spectra of methyl β‐D‐glucopyranose in water: The application of the quantum cluster growth and clusters‐in‐a‐liquid solvation models

Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations

Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations

Chirality Discrimination at Binary Organic|Water Interfaces Monitored by Interfacial Tension Measurements with Preliminary Comparison with Molecular Dynamics Simulations

Rotational spectra of singly substituted rare isotopologues of two conformers of 3,3,3-trifluoropropanol

Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy

Rotational spectroscopy of hydrogen-bonded binary trifluoro-propanol conformers: conformational diversity, preference and abundances in a jet expansion

Wetting vs Droplet Aggregation: A Broadband Rotational Spectroscopic Study of 3‐Methylcatechol⋅⋅⋅Water Clusters

Wetting vs Droplet Aggregation: A Broadband Rotational Spectroscopic Study of 3‐Methylcatechol⋅⋅⋅Water Clusters

Deciphering the non-covalent interactions in the furan⋯hexane complex using rotational spectroscopy and theoretical analyses

Virtual Issue on Chiroptical Spectroscopy

Rotational Spectroscopy of the 2,2,3,3,3‐Pentafluoropropanol⋅⋅⋅Water Complex: Conformations and Large Amplitude Motions

Alternating 1-Phenyl-2,2,2-Trifluoroethanol Conformational Landscape With the Addition of One Water: Conformations and Large Amplitude Motions

Rotational Spectroscopy of 2‐Furoic Acid and Its Dimer: Conformational Distribution and Double Proton Tunneling

Collaborators (3)

Martin Suhm

Jiarui Ma

Wolfgang Jaeger

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