Chirality of and gear motion in isopropyl methyl sulfide: A Fourier transform microwave study

Literature Information

Publication Date 2010-06-22
DOI 10.1039/C002314K
Impact Factor 3.676
Authors

Eizi Hirota, Keisuke Sakieda, Yoshiyuki Kawashima


View Original

Abstract

Isopropyl methyl sulfide (CH3)2CHSCH3 was investigated by Fourier transform microwave spectroscopy. Two rotational isomers gauche and trans were detected. The rotational spectra of gauche were found fit to an asymmetric rotor pattern, except for being split by the internal rotation of CH3 attached to S with the potential barrier V3 of 601.642 (65) cm−1 and for exhibiting the effect of tunneling between the two equivalent gauche forms in a few high-K transitions. The tunneling was discussed from a viewpoint of chirality. The trans spectra appeared generally similar to those of gauche, with V3 to the S–CH3 internal rotation of 559.00 (11) cm−1, but satellite lines accompanied the ground torsional state lines in some high-K transitions. These satellites were ascribed to the excited state of the C(isop)–S torsion. In fact, the potential function for this torsion was shown by an ab initio calculation to be flat or even of double minima around the trans position, which was presumably caused by a gear coupling between the two methyl groups of the isopropyl group and the one in the S–CH3.

Related Literature

Cathode interface materials based on perylene-diimide derivatives for thickness insensitivity and high fill factor heterojunction organic solar cells

Lei Li, Jie Xu, Wenli Luo, Ke Zhong, Xiaohong Zhao, Yu Hu, Zhongyi Yuan, Yiwang Chen

2023-10-18 Paper

DOI: 10.1039/D3TA04833K

Modular three-component synthesis of 6H-benzochromenone based blue luminogens under catalyst- and solvent-free conditions

Thangavel Pavithra, Karthiyayini Gnanaoli, Deepan Babu Rajkumar, Arulmozhi Puhazhendhi, Soumya Sivalingam, Natarajan Sampath, Subbiah Nagarajan, Vellaisamy Sridharan, C. Uma Maheswari

2024-01-01 Paper

DOI: 10.1039/D3NJ04721K

Benzimidazole-modified organosilane functionalized silica nanoparticles as a ‘turn-off’ fluorescent probe for highly selective Cu2+ ion detection: unravelling logic gate behaviour and molecular docking studies

Gurjaspreet Singh, Mohit, Akshpreet Singh, Priyanka, Sumesh Khurana, Mithun, K. N. Singh, Jasamrit Nayyar, Brij Mohan

2023-12-22 Paper

DOI: 10.1039/D3NJ05199D

Chemistry, biosynthesis and biology of floral volatiles: roles in pollination and other functions

Stefan Dötterl, Jonathan Gershenzon

2023-09-04 Review Article

DOI: 10.1039/D3NP00024A

A long-term stable zinc metal anode enabled by a mannitol additive

Dongdong Zhang, Jin Cao, Zhiqiang Dai, Rungroj Chanajaree, Chengwu Yang, Xiang Wu, Xinyu Zhang

2023-10-20 Communication

DOI: 10.1039/D3TA04700H

Organophotoredox-catalyzed stereoselective reductive dimerization of chromone-2-carboxylic esters

Tanaya Manna, Subhas Chandra Debnath, Syed Masood Husain

2024-01-09 Communication

DOI: 10.1039/D3NJ05659G

Mechanistic understanding of 3d-metal phthalocyanine catalysts: heterostructure regulation of dz2 orbitals for efficient CO2 reduction

Jiayong Xiao, Hao Dong, Hui Zhang, Haolan Yang, Ming Qiu, Ying Yu

2023-10-24 Paper

DOI: 10.1039/D3TA05834D

Strategies and tactics for the synthesis of lipid I and II and shortened analogues: functional building blocks of bacterial cell wall biosynthesis

Christina Braun, Lukas Martin Wingen, Dirk Menche

2023-07-26 Review Article

DOI: 10.1039/D3NP00018D

Optical imaging probes for selective detection of butyrylcholinesterase

Musa Dirak, Jefferson Chan, Safacan Kolemen

2024-01-02 Review Article

DOI: 10.1039/D3TB02468G

You might also like

Compound Q&A

How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?

Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...

898825-89-3N-Methoxy-N-methyl-1...
Compound Q&A

How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?

N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...

1318338-47-4N-(4-Biphenylyl)dibe...
Compound Q&A

What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?

The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...

1713-07-13-Acetamido-5-amino-...
Compound Q&A

How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?

Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...

61820-03-9Benzyl 2-O-acetyl-3,...
Compound Q&A

What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?

2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...

438050-52-32-Ethylpiperazine di...
Compound Q&A

What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?

1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...

119462-56-51,1'-[1,3-Phenyleneb...
Compound Q&A

Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?

Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...

1287217-79-15-Fluoro-2-(1-pyrrol...
Compound Q&A

What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?

When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...

676371-00-96-Bromoimidazo[1,2-a...
Compound Q&A

Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?

Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...

1049740-22-8(2S,4R)-4-(4-Nitrobe...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.