Nitrogen cation

Formula: N₂⁺
Molecular weight: 28.0129
IUPAC Standard InChI: InChI=1S/N2/c1-2/q+1
IUPAC Standard InChIKey: OCLMUTJUZGFVFC-UHFFFAOYSA-N
CAS Registry Number: 13966-04-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	47.239	cal/mol*K	Review	Chase, 1998	Data last reviewed in September, 1977

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Ion clustering data, Constants of diatomic molecules, NIST Free Links, References, Notes

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Nitrogen cation + = ( • )

By formula: N₂⁺ + N₂ = (N₂⁺ • N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.4 to 24.4	kcal/mol	RNG	N/A	Range of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.0	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Δ_rS°	16.2	cal/mol*K	PHPMS	Teng and Conway, 1973	gas phase
Δ_rS°	19.5	cal/mol*K	PHPMS	Payzant and Kebarle, 1970	gas phase
Δ_rS°	11.	cal/mol*K	DT	Varney, 1968	gas phase; Entropy change is questionable
Δ_rS°	-1.	cal/mol*K	DT	Varney, 1959	gas phase; Entropy change is questionable

Nitrogen cation + = ( • )

By formula: N₂⁺ + Ar = (N₂⁺ • Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.8	kcal/mol	PD/KERD	Kim and Bowers, 1990	gas phase; switching reaction(N2+)N2; Hiraoka and Nakajima, 1988
Δ_rH°	25.4	kcal/mol	PHPMS	Teng and Conway, 1973	gas phase; switching reaction(N2+)N2
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PD/KERD	Kim and Bowers, 1990	gas phase; switching reaction(N2+)N2; Hiraoka and Nakajima, 1988
Δ_rS°	13.7	cal/mol*K	PHPMS	Teng and Conway, 1973	gas phase; switching reaction(N2+)N2

( Nitrogen cation • 7) + = ( • 8)

By formula: (N₂⁺ • 7Ar) + Ar = (N₂⁺ • 8Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.53	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated

( Nitrogen cation • 8) + = ( • 9)

By formula: (N₂⁺ • 8Ar) + Ar = (N₂⁺ • 9Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.52	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated

( Nitrogen cation • ) + = ( • 2)

By formula: (N₂⁺ • N₂) + N₂ = (N₂⁺ • 2N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.8 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Δ_rH°	1.4	kcal/mol	PI	Linn, Ono, et al., 1981	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.0	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • ) + = ( • 2)

By formula: (N₂⁺ • Ar) + Ar = (N₂⁺ • 2Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3.8	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Δ_rH>
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Δ_rH>

( Nitrogen cation • 10) + = ( • 11)

By formula: (N₂⁺ • 10N₂) + N₂ = (N₂⁺ • 11N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.7 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.2	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 9) + = ( • 10)

By formula: (N₂⁺ • 9N₂) + N₂ = (N₂⁺ • 10N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.8 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.7	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 2) + = ( • 3)

By formula: (N₂⁺ • 2N₂) + N₂ = (N₂⁺ • 3N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.7 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.8	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 3) + = ( • 4)

By formula: (N₂⁺ • 3N₂) + N₂ = (N₂⁺ • 4N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.5 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.6	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 4) + = ( • 5)

By formula: (N₂⁺ • 4N₂) + N₂ = (N₂⁺ • 5N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.5 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.5	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 5) + = ( • 6)

By formula: (N₂⁺ • 5N₂) + N₂ = (N₂⁺ • 6N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.3 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 6) + = ( • 7)

By formula: (N₂⁺ • 6N₂) + N₂ = (N₂⁺ • 7N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.0 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 7) + = ( • 8)

By formula: (N₂⁺ • 7N₂) + N₂ = (N₂⁺ • 8N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.9 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.3	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 8) + = ( • 9)

By formula: (N₂⁺ • 8N₂) + N₂ = (N₂⁺ • 9N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.8 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 2) + = ( • 3)

By formula: (N₂⁺ • 2Ar) + Ar = (N₂⁺ • 3Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.7 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	13.7	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 3) + = ( • 4)

By formula: (N₂⁺ • 3Ar) + Ar = (N₂⁺ • 4Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.7 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.9	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 4) + = ( • 5)

By formula: (N₂⁺ • 4Ar) + Ar = (N₂⁺ • 5Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.6 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.0	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 5) + = ( • 6)

By formula: (N₂⁺ • 5Ar) + Ar = (N₂⁺ • 6Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.6 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.4	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 6) + = ( • 7)

By formula: (N₂⁺ • 6Ar) + Ar = (N₂⁺ • 7Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.5 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.3	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

Nitrogen cation + = ( • )

By formula: N₂⁺ + He = (N₂⁺ • He)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	0.4	kcal/mol	PDiss	Bieske, Soliva, et al., 1990	gas phase; same Δ_rH for N2+(B) and (N2+)X; ab initio, Miller, Tennyson, et al., 1988

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Constants of diatomic molecules, NIST Free Links, References, Notes

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Nitrogen cation + = ( • )

By formula: N₂⁺ + Ar = (N₂⁺ • Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.8	kcal/mol	PD/KERD	Kim and Bowers, 1990	gas phase; switching reaction(N2+)N2; Hiraoka and Nakajima, 1988
Δ_rH°	25.4	kcal/mol	PHPMS	Teng and Conway, 1973	gas phase; switching reaction(N2+)N2
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PD/KERD	Kim and Bowers, 1990	gas phase; switching reaction(N2+)N2; Hiraoka and Nakajima, 1988
Δ_rS°	13.7	cal/mol*K	PHPMS	Teng and Conway, 1973	gas phase; switching reaction(N2+)N2

( Nitrogen cation • ) + = ( • 2)

By formula: (N₂⁺ • Ar) + Ar = (N₂⁺ • 2Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3.8	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Δ_rH>
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Δ_rH>

( Nitrogen cation • 2) + = ( • 3)

By formula: (N₂⁺ • 2Ar) + Ar = (N₂⁺ • 3Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.7 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	13.7	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 3) + = ( • 4)

By formula: (N₂⁺ • 3Ar) + Ar = (N₂⁺ • 4Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.7 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.9	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 4) + = ( • 5)

By formula: (N₂⁺ • 4Ar) + Ar = (N₂⁺ • 5Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.6 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.0	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 5) + = ( • 6)

By formula: (N₂⁺ • 5Ar) + Ar = (N₂⁺ • 6Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.6 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.4	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 6) + = ( • 7)

By formula: (N₂⁺ • 6Ar) + Ar = (N₂⁺ • 7Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.5 ± 0.2	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.3	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1992	gas phase

( Nitrogen cation • 7) + = ( • 8)

By formula: (N₂⁺ • 7Ar) + Ar = (N₂⁺ • 8Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.53	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated

( Nitrogen cation • 8) + = ( • 9)

By formula: (N₂⁺ • 8Ar) + Ar = (N₂⁺ • 9Ar)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.52	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Mori, et al., 1992	gas phase; Entropy change calculated or estimated

Nitrogen cation + = ( • )

By formula: N₂⁺ + He = (N₂⁺ • He)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	0.4	kcal/mol	PDiss	Bieske, Soliva, et al., 1990	gas phase; same Δ_rH for N2+(B) and (N2+)X; ab initio, Miller, Tennyson, et al., 1988

Nitrogen cation + = ( • )

By formula: N₂⁺ + N₂ = (N₂⁺ • N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.4 to 24.4	kcal/mol	RNG	N/A	Range of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.0	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Δ_rS°	16.2	cal/mol*K	PHPMS	Teng and Conway, 1973	gas phase
Δ_rS°	19.5	cal/mol*K	PHPMS	Payzant and Kebarle, 1970	gas phase
Δ_rS°	11.	cal/mol*K	DT	Varney, 1968	gas phase; Entropy change is questionable
Δ_rS°	-1.	cal/mol*K	DT	Varney, 1959	gas phase; Entropy change is questionable

( Nitrogen cation • ) + = ( • 2)

By formula: (N₂⁺ • N₂) + N₂ = (N₂⁺ • 2N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.8 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Δ_rH°	1.4	kcal/mol	PI	Linn, Ono, et al., 1981	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.0	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 2) + = ( • 3)

By formula: (N₂⁺ • 2N₂) + N₂ = (N₂⁺ • 3N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.7 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.8	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 3) + = ( • 4)

By formula: (N₂⁺ • 3N₂) + N₂ = (N₂⁺ • 4N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.5 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.6	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 4) + = ( • 5)

By formula: (N₂⁺ • 4N₂) + N₂ = (N₂⁺ • 5N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.5 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.5	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 5) + = ( • 6)

By formula: (N₂⁺ • 5N₂) + N₂ = (N₂⁺ • 6N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.3 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 6) + = ( • 7)

By formula: (N₂⁺ • 6N₂) + N₂ = (N₂⁺ • 7N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.0 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 7) + = ( • 8)

By formula: (N₂⁺ • 7N₂) + N₂ = (N₂⁺ • 8N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.9 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.3	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 8) + = ( • 9)

By formula: (N₂⁺ • 8N₂) + N₂ = (N₂⁺ • 9N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.8 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 9) + = ( • 10)

By formula: (N₂⁺ • 9N₂) + N₂ = (N₂⁺ • 10N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.8 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.7	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

( Nitrogen cation • 10) + = ( • 11)

By formula: (N₂⁺ • 10N₂) + N₂ = (N₂⁺ • 11N₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.7 ± 0.2	kcal/mol	PHPMS	Hiraoka and Nakajima, 1988	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.2	cal/mol*K	PHPMS	Hiraoka and Nakajima, 1988	gas phase

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, NIST Free Links, References, Notes

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ¹⁴N₂⁺
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Several other much weaker X-ray emissions corresponding to higher levels of N₂⁺.
↳Werme, Grennberg, et al., 1973; Werme, Grennberg, et al., 1973, 2
x 2											x → C	384.5 eV 1
x 2	↳Werme, Grennberg, et al., 1973; Werme, Grennberg, et al., 1973, 2
x											x → B	391.33 eV
	↳Werme, Grennberg, et al., 1973; Werme, Grennberg, et al., 1973, 2
											x → A 3	393.34 eV
	↳Werme, Grennberg, et al., 1973; Werme, Grennberg, et al., 1973, 2
											x → X	394.40 eV 4
	↳Werme, Grennberg, et al., 1973; Werme, Grennberg, et al., 1973, 2
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
G ²Σ_g⁺	(195000) 5
G ²Σ_g⁺	↳Gardner and Samson, 1975
C ²Σ_u⁺	64608.₁ 6	2071.5 6 Z	9.2₉ 7	-0.43	[1.509₈]	8 9		4.0E-6		[1.262₈]	C 10 → X R	64542.0 Z
C ²Σ_u⁺	↳Tanaka, 1953; missing citation; missing citation; Lofthus and Krupenie, 1977
D ²Π_gi	52318.2 11	907.7₁ Z	11.91 12	0.016	1.113	0.020		5E-6		1.471	D → A R	42654.0 Z
D ²Π_gi	↳missing citation; Janin, d'Incan, et al., 1963
(a ⁴Σ_u⁺)	(25467)	(2398)	(14)		(2.071)	(0.014)					(a → X) 13	(25563.26)
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B ²Σ_u⁺	25461.4₆	2419.84 Z	23.18₉ 14 15	-0.537₅	[2.07456] 16 17	0.024 18		6.17E-6		1.074₂	B ↔ X 19 20 VR	25566.04 Z
B ²Σ_u⁺	↳missing citation; Coster and Brons, 1931; Douglas, 1952; missing citation; Klynning and Pages, 1972; Colbourn and Douglas, 1977
A ²Π_ui	9166.9₅ 21	1903.7₀ 22 Z	15.02 15		1.7444 23 17	0.0188₃ 23		5.6E-6 23		1.1749	A → X 24 25 R	9015.5₇ Z
A ²Π_ui	↳Douglas, 1953; Colbourn and Douglas, 1977
X ²Σ_g⁺	0	2207.00 Z	16.10 26 15	-0.040	1.93176 27 17	0.01881		[6.10E-6] 28		1.11642

Notes

Vertical transition.

K state of N₂ (removal of one K electron)

Consisting of a v" progression (v"= 0...5).

Observed X-ray emission line leading to X ²Σ_g⁺(v=0); the value predicted from the K limit and I.P.(N2) is 393.9 eV. The X-ray line has a shoulder at 394.1₇ eV probably corresponding to v"=1.

Repulsive state corresponding to removal of a 2σ_g electron and dissociating into N(⁴S) + N⁺(2s2p³ ³P), observed in photoelectron and photoion spectra with maximum at 39.8 and limit at 37.8₆ eV.

Different constants are derived by Joshi, 1966 who assumes that the levels v=0,1,2 are perturbed and therefore does not include them in the evaluation: he gives T_e = 64562.93 cm^-1 Joshi, 1966.

Vibrational numbering confirmed by ¹⁴N-¹⁵N isotope shifts Baer and Miescher, 1953, Namioka, Yoshino, et al., 1963, Joshi, 1966, 2. Additional vibrational levels (to v'=17) observed by Asbrink and Fridh, 1974 in the photoelectron spectrum.

B_v(v=1)= 1.509₆, B_v(v=2)= 1.503₅, B_v(v=3)= 1.497₀, B_v(v=4)= 1.489₈, B_v(v=5)= 1.480₄, B_v(v=6)= 1.470₀. The shape of the B_v curve is anomalous; meaningful equilibrium constants have not been determined. Spin doubling partially resolved for high N values Carroll, 1959.

In a discharge through He+N₂ the v'=3 bands are strongly enhanced. It has been suggested Douglas, 1952 that this enhancement is due to inverse predissociation, i.e. N(⁴S) + N⁺(³P) → N₂⁺(C ²Σ_u⁺): see also Carroll, 1959. Direct predissociation, i.e. the production of N⁺ ions, has been observed mass- spectrometrically Wankenne and Momigny, 1971, Wankenne, Bolduc, et al., 1975: see also Fournier, Ozenne, et al., 1970, Fournier, van de Runstraat, et al., 1971. According to Wankenne and Momigny, 1971 the "metastable" ion N₂⁺(C ²Σ_u⁺) has a lifetime of 0.8 μs before radiationless decomposition; see, however, van de Runstraat, de Heer, et al., 1974 and 10. The question which state causes the predissociation has been the subject of much discussion Lorquet and Lorquet, 1974, Tellinghuisen and Albritton, 1975, Roche and Lefebvre-Brion, 1975 following the discovery of a large isotope effect on this predissociation Govers, van de Runstraat, et al., 1973, Govers, Fehsenfeld, et al., 1974, van de Runstraat, de Heer, et al., 1974, Govers, van de Runstraat, et al., 1975. See also Fournier, Govers, et al., 1972. Another predissociation limit at 26.70 eV above N₂(X ¹Σ_g⁺,v=0) and corresponding to ²D⁰ + ³P has been observed by Asbrink and Fridh, 1974.

Radiative lifetime of the nonpredissociated levels τ(v≤2) = 0.09 μs Fournier, van de Runstraat, et al., 1971.

A = -16.5.

Vibrational numbering confirmed by ¹⁴N-¹⁵N isotope shifts Namioka, Yoshino, et al., 1963.

The identification of this quartet-doublet transition by d'Incan and Topouzkhanian, 1975 has been questioned by Dressler, 1976 who considers it as the first negative system of ¹⁴N¹⁵N⁺.

ω_ez_e = -0.0495; these constants, derived from ω₀, ω₀x₀, ... of Coster and Brons, 1931, represent the unperturbed vibrational levels only to v=10: for v>10 the ΔG curve shows a positive curvature. Levels observed up to v=29 Douglas, 1952.

Experimental Franck-Condon factors for photoionization into these states from the ground state of N₂ Spohr and Puttkamer, 1967, Comes and Speier, 1971, Gardner and Samson, 1974; theoretical Franck-Condon factors Lofthus and Krupenie, 1977, Albritton, Schmeltekopf, et al., 1979; see also Kosinov and Skovorodko, 1973, Lee and Rabalais, 1974.

Spin splitting constant γ₀ = +0.0229 Colbourn and Douglas, 1977: γ' - γ" = 0.015 Bouchoux, Bacis, et al., 1976. Rotational intensity distribution Bouchoux, Bacis, et al., 1976; see also Desesquelles, Cao, et al., 1975.

RKR potential functions Singh and Rai, 1966, see also Joshi, 1966, 3, Hajj, 1975.

Valid only to v=3. Rotational perturbations by A ²Π_u in v=1,3,5,8,9,13; see Herzberg, 1928, Coster and Brons, 1931, Childs, 1932, Parker, 1933, Brons, 1934, Klynning and Pages, 1972.

Lifetime τ(v=0) = 60.5 ns Dotchin and Chupp, 1973, Smith, Read, et al., 1975, see Dotchin and Chupp, 1973, Smith, Read, et al., 1975 and earlier work quoted by them. Perturbed rotational levels (e.g. v=1, N=13,14) have lifetimes up to τ(v=1,N=13,14)= 95 ns Dufayard, Negre, et al., 1974. f₀₀= 0.019 Nicholls, 1963; the electronic f value at the wavelength of the 0-1 band is f= 0.034 Wray and Connolly, 1965.

Observed in absorption in flash discharges Herzberg, 1968; laser-induced fluorescence Engelking and Smith, 1975. From intensity measurements Lee and Judge, 1973 conclude that the electronic transition moment is nearly independent of r; see, however, Nicholls, 1963, Kiselyovskii and Shimanovich, 1968, Brown and Landshoff, 1971. Franck-Condon factors Grandmontagne, Jorus, et al., 1970, Comes and Speier, 1971, Lofthus and Krupenie, 1977.

A(v=2,3)= -74.62, small J dependence Colbourn and Douglas, 1977.

From Janin, d'Incan, et al., 1963; Colbourn and Douglas, 1977 give ΔG(5/2) = 1813.32₇. Levels observed in nitrogen ion beams to v=30 Maier and Holland, 1973. Vibrational numbering confirmed by ¹⁵N₂⁺ data Liu, 1959.

From the rotational constants for v=2,3 Colbourn and Douglas, 1977; also Λ-type doubling constants. For higher but less accurate B_v values see Janin, d'Incan, et al., 1963. β_e = +0.18E-6 Colbourn and Douglas, 1977.

Lifetime varies from 13.9 μs for v=1 to 7.3 μs for v=8: see Peterson and Moseley, 1973,who give references to earlier work, and Gray, Roberts, et al., 1972, Maier and Holland, 1973. Transition probabilities, f values: f₀₀= 0.00168 Cartwright, 1973.

The bands were observed in the aurora Meinel, 1950 before they were discovered in the laboratory Douglas, 1953. Dependence of the electronic transition moment on r Koppe, Koval, et al., 1968, Cartwright, 1973, Maier and Holland, 1973, Wu and Shemansky, 1976, Mandelbaum and Feldman, 1976.

These constants Klynning and Pages, 1972 are only very slightly different from those implied by Douglas, 1952 who gives ω₀, ω₀x₀ ... ΔG(1/2) = 2174.72₈ Colbourn and Douglas, 1977.

From B₀ and B₁ of Colbourn and Douglas, 1977. Spin splitting constant γ(v=0,1) =0.0083 Colbourn and Douglas, 1977; see also Bouchoux, Bacis, et al., 1976.

D₁ = 6.38E-6 Colbourn and Douglas, 1977: higher, less accurate D_v values in Klynning and Pages, 1972.

From D₀⁰(N₂) + I.P.(N) - I.P.(N₂).

From the electron impact appearance potential of N₂⁺⁺ Dorman and Morrison, 1963 and I.P.(N₂). See also Appell, Durup, et al., 1973 and ref. given there.

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Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Constants of diatomic molecules, NIST Free Links, References

Symbols used in this document:

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions