Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile

doi:10.1039/C9CP04328D

Title: Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile

Abstract

Understanding conformational preferences of 3- and 4-pentenenitriles via broadband microwave spectroscopy.

Authors:

^[1]; Fritz, Sean M. ^[1]; Hays, Brian M. ^[1]; Mehta-Hurt, Deepali N. ^[1]; Jawad, Khadija M. ^[1];

^[1]

Department of Chemistry, Purdue University, West Lafayette, USA

Publication Date:: 2019-10-30

Sponsoring Org.:: USDOE

OSTI Identifier:: 1570863

Grant/Contract Number:: FG02-96ER14656

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Chemistry Chemical Physics. PCCP (Print)

Additional Journal Information:: Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 42; Journal ID: ISSN 1463-9076

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Mishra, Piyush, Fritz, Sean M., Hays, Brian M., Mehta-Hurt, Deepali N., Jawad, Khadija M., and Zwier, Timothy S. Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile.  United Kingdom: N. p., 2019. 
        Web.  doi:10.1039/C9CP04328D.

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                    Mishra, Piyush, Fritz, Sean M., Hays, Brian M., Mehta-Hurt, Deepali N., Jawad, Khadija M., & Zwier, Timothy S. Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile.  United Kingdom.  doi:10.1039/C9CP04328D.

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                    Mishra, Piyush, Fritz, Sean M., Hays, Brian M., Mehta-Hurt, Deepali N., Jawad, Khadija M., and Zwier, Timothy S. Wed .  
        "Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile".  United Kingdom.  doi:10.1039/C9CP04328D.

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@article{osti_1570863,

  title        = {Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile},

  author       = {Mishra, Piyush and Fritz, Sean M. and Hays, Brian M. and Mehta-Hurt, Deepali N. and Jawad, Khadija M. and Zwier, Timothy S.},

  abstractNote = {Understanding conformational preferences of 3- and 4-pentenenitriles via broadband microwave spectroscopy.},

  doi          = {10.1039/C9CP04328D},

  journal      = {Physical Chemistry Chemical Physics. PCCP (Print)},

  number       = 42,

  volume       = 21,

  place        = {United Kingdom},

  year         = {2019},

  month        = {10}

}

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DOI: 10.1039/C9CP04328D

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Title: Broadband rotational spectroscopy of trans 3-pentenenitrile and 4-pentenenitrile

Abstract

Citation Formats

The effect of substitution on the frequency and intensity of the C=C double bond absorption band journal, January 1969

Combining Synchronous Transit and Quasi-Newton Methods to Find Transition States journal, January 1993

The microwave spectrum of 2-methylthiazole: methyl internal rotation and 14N nuclear quadrupole coupling journal, July 2002

Multiplexed characterization of complex gas-phase mixtures combining chirped-pulse Fourier transform microwave spectroscopy and VUV photoionization time-of-flight mass spectrometry journal, September 2018

Titan's organic aerosols: Molecular composition and structure of laboratory analogues inferred from pyrolysis gas chromatography mass spectrometry analysis journal, October 2016

Increased complexity in interstellar chemistry: detection and chemical modeling of ethyl formate and n -propyl cyanide in Sagittarius B2(N) journal, March 2009

Analysis of Titan tholin pyrolysis products by comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry journal, November 2006

Microwave Spectrum and Barrier to Internal Rotation of 5-Methylisoxazole journal, October 1975

Conformational explosion: Understanding the complexity of short chain para -dialkylbenzene potential energy surfaces journal, May 2018

Multi-resonance effects within a single chirp in broadband rotational spectroscopy: The rapid adiabatic passage regime for benzonitrile journal, October 2012

The microwave spectrum of trans 1-nitropropene journal, January 1974

Conformational analysis of n-butanal by Chirped-Pulse Fourier Transform Microwave spectroscopy journal, October 2012

Basic terminology of stereochemistry (IUPAC Recommendations 1996) journal, January 1996

Macromodel?an integrated software system for modeling organic and bioorganic molecules using molecular mechanics journal, May 1990

A chirped-pulse Fourier-transform microwave/pulsed uniform flow spectrometer. I. The low-temperature flow system journal, October 2014

Spectroscopy of the ground, first and second excited torsional states of acetaldehyde from 0.05 to 1.6THz journal, January 2014

Prebiotic-like chemistry on Titan journal, January 2012

Identifying the first folded alkylbenzene via ultraviolet, infrared, and Raman spectroscopy of pentylbenzene through decylbenzene journal, January 2017

Cooling of large and heavy molecules in seeded supersonic beams journal, September 1980

Detection of the aromatic molecule benzonitrile ( c -C 6 H 5 CN) in the interstellar medium journal, January 2018

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The Rotational Spectrum of Propene: Internal Rotation Analysis and ab Initio and Experimental Centrifugal Distortion Constants journal, October 1994

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2018 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules journal, November 2018

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Origins of building blocks of life: A review journal, July 2018

Raman and infrared spectra, conformational stability, normal coordinate analysis, vibrational assignment, and ab initio calculations of trans -3-pentenenitrile journal, October 2000

The Microwave Spectrum of 4-Methylthiazole: Methyl Internal Rotation, 14N Nuclear Quadrupole Coupling and Electric Dipole Moment journal, December 1987

The fitting and prediction of vibration-rotation spectra with spin interactions journal, August 1991

Conformer-specific microwave spectroscopy of 3-phenylpropionitrile by strong field coherence breaking journal, July 2018

Microwave Spectrum of Propylene. II. Potential Function for the Internal Rotation of the Methyl Group journal, September 1966

The effect of substitution on the frequency and intensity of the C=C double bond absorption band
journal, January 1969

Combining Synchronous Transit and Quasi-Newton Methods to Find Transition States
journal, January 1993

The microwave spectrum of 2-methylthiazole: methyl internal rotation and 14N nuclear quadrupole coupling
journal, July 2002

Multiplexed characterization of complex gas-phase mixtures combining chirped-pulse Fourier transform microwave spectroscopy and VUV photoionization time-of-flight mass spectrometry
journal, September 2018

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journal, October 2016

Increased complexity in interstellar chemistry: detection and chemical modeling of ethyl formate and n -propyl cyanide in Sagittarius B2(N)
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Analysis of Titan tholin pyrolysis products by comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry
journal, November 2006

Microwave Spectrum and Barrier to Internal Rotation of 5-Methylisoxazole
journal, October 1975

Conformational explosion: Understanding the complexity of short chain para -dialkylbenzene potential energy surfaces
journal, May 2018

Multi-resonance effects within a single chirp in broadband rotational spectroscopy: The rapid adiabatic passage regime for benzonitrile
journal, October 2012

The microwave spectrum of trans 1-nitropropene
journal, January 1974

Conformational analysis of n-butanal by Chirped-Pulse Fourier Transform Microwave spectroscopy
journal, October 2012

Basic terminology of stereochemistry (IUPAC Recommendations 1996)
journal, January 1996

Macromodel?an integrated software system for modeling organic and bioorganic molecules using molecular mechanics
journal, May 1990

A chirped-pulse Fourier-transform microwave/pulsed uniform flow spectrometer. I. The low-temperature flow system
journal, October 2014

Spectroscopy of the ground, first and second excited torsional states of acetaldehyde from 0.05 to 1.6THz
journal, January 2014

Prebiotic-like chemistry on Titan
journal, January 2012

Identifying the first folded alkylbenzene via ultraviolet, infrared, and Raman spectroscopy of pentylbenzene through decylbenzene
journal, January 2017

Cooling of large and heavy molecules in seeded supersonic beams
journal, September 1980

Detection of the aromatic molecule benzonitrile ( c -C ₆ H ₅ CN) in the interstellar medium
journal, January 2018

Broadband multi-resonant strong field coherence breaking as a tool for single isomer microwave spectroscopy
journal, September 2016

Integrated intensities of absorption in infrared spectra of unsaturated nitriles
journal, January 1970

The Rotational Spectrum of Propene: Internal Rotation Analysis and ab Initio and Experimental Centrifugal Distortion Constants
journal, October 1994

Natural Bond Orbital Analysis of Internal Rotation Barriers and Related Phenomena
journal, January 1991

Microwave Spectrum and Conformational Properties of 4-Isocyano-1-butene (H ₂ C═CHCH ₂ CH ₂ N≡C)
journal, February 2014

2018 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules
journal, November 2018

Aggregation and association of polar molecules in low temperature matrices and in the gaseous phase
journal, March 1986

Origins of building blocks of life: A review
journal, July 2018

Raman and infrared spectra, conformational stability, normal coordinate analysis, vibrational assignment, and ab initio calculations of trans -3-pentenenitrile
journal, October 2000

The Microwave Spectrum of 4-Methylthiazole: Methyl Internal Rotation, 14N Nuclear Quadrupole Coupling and Electric Dipole Moment
journal, December 1987

The fitting and prediction of vibration-rotation spectra with spin interactions
journal, August 1991

Conformer-specific microwave spectroscopy of 3-phenylpropionitrile by strong field coherence breaking
journal, July 2018

Microwave Spectrum of Propylene. II. Potential Function for the Internal Rotation of the Methyl Group
journal, September 1966