HCr
- Formula: CrH
- Molecular weight: 53.0040
- CAS Registry Number: 13966-79-5
- Information on this page:
- Options:
Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
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
Cr- + = HCr
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 351.3 ± 3.8 | kcal/mol | D-EA | Bilodeau, Scheer, et al., 1998 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 332.0 ± 3.0 | kcal/mol | IMRB | Sallans, Lane, et al., 1985 | gas phase; May be from long-lived excited state |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.563 ± 0.010 | LPES | Miller, Feigerle, et al., 1987 |
De-protonation reactions
Cr- + = HCr
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 351.3 ± 3.8 | kcal/mol | D-EA | Bilodeau, Scheer, et al., 1998 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 332.0 ± 3.0 | kcal/mol | IMRB | Sallans, Lane, et al., 1985 | gas phase; May be from long-lived excited state |
Constants of diatomic molecules
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Klaus P. Huber and Gerhard H. Herzberg
Data collected through December, 1974
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (30386) | ||||||||||||
| ↳Kleman and Liljeqvist, 1955; Smith, 1973 | ||||||||||||
| B (6Π) 1 | B ↔ (X) | (27181) | ||||||||||
| ↳Gaydon and Pearse, 1937; Kleman and Liljeqvist, 1955; Kleman and Uhler, 1959; O'Connor, 1969; Smith, 1973 | ||||||||||||
| A 6Σ(+) | (11611) | [1479.4] Z | 21.5 H | 5.337 2 | 0.131 | [0.000247] 3 | 1.787 | A → X R | 11552.29 Z | |||
| ↳Kleman and Liljeqvist, 1955; missing citation; missing citation | ||||||||||||
| X 6Σ(+) | 0 | [1581.2] H | (32) | 6.220 4 | 0.179 | [0.000347] 5 | 1.6557 | |||||
Notes
| 1 | Complex V shaded band in the region 26975 - 27930 cm-1. 7 |
| 2 | Spin splitting constants Kleman and Uhler, 1959, O'Connor, 1967 γ0 = 1.20, λ0= 0.14. Perturbations in both v=0 and v=1 may be caused by a state 8Σ state Kleman and Uhler, 1959. |
| 3 | H0= +0.7E-8; D1= 2.36E-4. |
| 4 | Spin splitting constants γ0 ~ 0.1, λ0 ~ 0.03 Kleman and Uhler, 1959, O'Connor, 1967. |
| 5 | H0 = +1.0E-8; D1 = 3.43E-4. |
| 6 | Described as rather diffuse by Smith, 1973. |
| 7 | The weakness of the emission at low pressures, and the stronger appearance of the corresponding deuteride system suggest predissociation of the upper state through a potential hill O'Connor, 1969. |
| 8 | Spin splitting constants γ0 = 0.64, λ0 = 0.28. Several perturbations. |
| 9 | H0 = +0.10E-8. |
| 10 | Spin splitting constants γ0 = 0.023, λ0 = 0.03. |
| 11 | H0 = +0.07E-8. |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bilodeau, Scheer, et al., 1998
Bilodeau, R.C.; Scheer, M.; Haugen, H.K.,
Infrared Laser Photodetachment of Transition Metal Negative Ions: Studies on Cr-, Mo-, Cu-, and Ag-,
J. Phys. B: Atom. Mol. Opt. Phys., 1998, 31, 17, 3885-3891, https://doi.org/10.1088/0953-4075/31/17/013
. [all data]
Sallans, Lane, et al., 1985
Sallans, L.; Lane, K.R.; Squires, R.R.; Freiser, B.S.,
Generation and reactions of atomic metal anions in the gas phase. Determination of the heterolytic and homolytic bond energies of VH, VrH, FeH, CoH, and MoH,
J. Am. Chem. Soc., 1985, 107, 4379. [all data]
Miller, Feigerle, et al., 1987
Miller, A.E.S.; Feigerle, C.S.; Lineberger, W.C.,
Laser photoelectron spectroscopy of CrH-, CoH-, and NiH-: Periodic trends in the electronic structure of the transition-metal hydrides,
J. Chem. Phys., 1987, 86, 1549. [all data]
Kleman and Liljeqvist, 1955
Kleman, B.; Liljeqvist, B.,
On the band spectrum of CrH,
Ark. Fys., 1955, 9, 345. [all data]
Smith, 1973
Smith, R.E.,
Diatomic hydride and deuteride spectra of the second row transition metals,
Proc. R. Soc. London A, 1973, 332, 113. [all data]
Gaydon and Pearse, 1937
Gaydon, A.G.; Pearse, R.W.B.,
Band spectrum of chromium hydride, CrH,
Nature (London), 1937, 140, 110. [all data]
Kleman and Uhler, 1959
Kleman, B.; Uhler, U.,
A 6Σ-6Σ transition in CrH,
Can. J. Phys., 1959, 37, 537. [all data]
O'Connor, 1969
O'Connor, S.,
A predissociation in the chromium hydride molecule,
J. Phys. B:, 1969, 2, 541. [all data]
O'Connor, 1967
O'Connor, S.,
The infrared spectrum of CrH and CrD,
Proc. R. Ir. Acad. Sect. A:, 1967, 65, 95-113. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.