NDLI: Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH+, ArCCH+, and ArCN+

Content Provider	Royal Society of Chemistry (RSC)
Author	Fortenberry, Ryan C. Novak, Carlie M.
Copyright Year	2017
Abstract	The search for possible, natural, noble gas molecules has led to quantum chemical, spectroscopic analysis of NeCCH+, ArCCH+, and ArCN+. Each of these systems has been previously shown to be a stable minimum on its respective potential energy surface. However, no spectroscopic data are available for laboratory detection or interstellar observation of these species, and the interstellar medium may be the most likely place in nature where these noble gas cations are found. The bent shape of NeCCH+ is confirmed here with a fairly large dipole moment and a bright C–H stretching frequency at 3101.9 cm−1. Even if this molecule is somewhat unstable, it is likely observable now that the spectral ranges of where to look have been established. ArCCH+ is much more stable but has dim double harmonic intensities for the vibrational fundamentals and a dipole moment below 0.5 D making its rotational transitions likely buried in the astronomical weeds. Even so, ArCCH+ cannot be excluded as a possibility in laboratory experiments of hydrocarbons in argon-rich environments. ArCN+, on the other hand, has a dipole moment of greater than 3.5 D, an observable C–N stretching fundamental at 2189.6 cm−1 (4.567 microns), and a viable formation pathway through HCN, a highly-abundant interstellar molecule. Consequently, these molecules containing noble gas atoms are spectroscopically classified at high-level for the first time and may be present in observable regions of outer space.
Starting Page	5230
Ending Page	5238
Page Count	9
File Format	HTM / HTML PDF
ISSN	14639076
Volume Number	19
Issue Number	7
Journal	Physical Chemistry Chemical Physics
DOI	10.1039/c6cp08140a
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Potential energy surface Outer space Dipole Noble gas Interstellar medium Harmonic oscillator
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy Physical and Theoretical Chemistry

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Theoretical investigation of the low-lying electronic states of the alkaline hydride BeH$^{2+}$ ion: Potential energy curves, spectroscopic constants, vibrational levels, and transition dipole functions

The Possible Interstellar Anion CH2CN −: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations (2013)

Relationship between Dipole Moments and Harmonic Vibrational Frequencies in Diatomic Molecules

Cationic Noble-Gas Hydrides: From Ion Sources to Outer Space

Combination of micro- and macroscopic descriptions of the kinetics of chemical reactions and processes of vibrational energy exchange in a multicomponent gas mixture

Formation of Potential Interstellar Noble Gas Molecules in Gas and Adsorbed Phases

Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculations

Calculation of the vibrational frequencies of polyatomic molecules, including those of crystals

Vibrational frequencies and spectroscopic constants for 1(sup 3)a' hnc and 1(sup 3)a' hoc+ from high-accuracy quartic force fields

Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH⁺, ArCCH⁺, and ArCN⁺

Similar Documents

Theoretical investigation of the low-lying electronic states of the alkaline hydride BeH$^{2+}$ ion: Potential energy curves, spectroscopic constants, vibrational levels, and transition dipole functions

The Possible Interstellar Anion CH2CN −: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations (2013)

Relationship between Dipole Moments and Harmonic Vibrational Frequencies in Diatomic Molecules

Cationic Noble-Gas Hydrides: From Ion Sources to Outer Space

Combination of micro- and macroscopic descriptions of the kinetics of chemical reactions and processes of vibrational energy exchange in a multicomponent gas mixture

Formation of Potential Interstellar Noble Gas Molecules in Gas and Adsorbed Phases

Dissociation of homonuclear diatomic halogens via multireference coupled cluster calculations

Calculation of the vibrational frequencies of polyatomic molecules, including those of crystals

Vibrational frequencies and spectroscopic constants for 1(sup 3)a' hnc and 1(sup 3)a' hoc+ from high-accuracy quartic force fields

Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH+, ArCCH+, and ArCN+

Vibrational frequencies and spectroscopic constants of three, stable noble gas molecules: NeCCH⁺, ArCCH⁺, and ArCN⁺