1. Infrared Matrix-isolation Study of New Noble-gas Compounds
Cheng Zhu
Department of Chemistry, University of Helsinki

2. Content 1. Introduction 2. Results 3. Results in brief
2.1. Noble-gas hydrides: HKrCCCl and HXeCCCl
2.2. Fluorinated noble-gas cyanides: FKrCN, FXeCN, and FXeNC
3. Results in brief

3. 1. Introduction

4. Reactivity of xenon is not trivial.
1. Introduction
Reactivity of xenon is not trivial.

5. 1. Introduction Neil Bartlett: 1962 Xenon hexafluoroplatinate
PtF6
Neil Bartlett: 1962
Xenon hexafluoroplatinate
Xe+[PtF6]−
Paul R. Fields: 1962
RnF2

6. 1. Introduction 1963 Crystals of KrF4 FKrF 1963 FKrF in an Ar matrix
A.V. Grosse, A.D. Kirshenbaum, A.G. Streng, L.V. Streng, Science 139, 1047 (1963)
1963
FKrF in an Ar matrix
J.J. Turner, G.C. Pimentel, Science 140, 974 (1963)
FKrCCH in a Kr matrix
L. Khriachtchev, A. Domanskaya, J. Lundell, A. Akimov, M. Räsänen, and E. Misochko, J. Phys. Chem. A 114, 4181 (2010).

7. 1. Introduction
Others ?
1963 KrF2
1962 Xe+[PtF6]−
1962 RnF2

8. 1. Introduction 2000: The first neutral argon Compound: HArF
L. Khriachtchev, M. Pettersson, N. Runeberg,
J. Lundell, and M. Räsänen, Nature 406, 874
(2000).

9. 1. Introduction 1995: Noble-gas hydrides
Formula: HNgY University of Helsinki
where
Ng = Noble-gas atom
Y = Electronegative atom or fragment
Examples: HXeI, HKrCl, and HArF
Charge transfer (HNg)+Y-
Very intense H‒Ng stretching mode
Can be easily monitored by IR spectroscopy

10. Experimental procedure
1. Introduction
Experimental procedure
FTIR spectrometer
Computer
Detector
H + Ng + Y
HY + Ng
HNgY IR
Temperature controller
Evacuated sample cell
Cold window
Needle valve
HY/Ng
1/1000
UV light

11. Formation of HKrCCCl in a Kr matrix
2. Results
2.1. New noble-gas hydrides (HNgY)
Formation of HKrCCCl in a Kr matrix
Depositition and photolysis by UV light HCCCl + Kr H + Kr + CCCl
h1
Annealing
H + Kr + CCCl HKrCCCl 
Decomposition by UV light
HKrCCCl H + Kr + CCCl
h2
C. Zhu, M. Räsänen, and L. Khriachtchev, J. Chem. Phys. 143, (2015).

12. Calculated and experimental frequencies of HKrCCCl and HXeCCCl
2. Results
2.1. New noble-gas hydrides (HNgY)
2.1 Noble-gas compound (HNgY)
Calculated and experimental frequencies of HKrCCCl and HXeCCCl
Calculated
frequencies, cm-1
Experimental
HKrCCCl
1421.8
1306 and 1315
2122.7
2070.7
HXeCCCl
1633.0
1500, 1550, and 1569
2122.1
2077.4
The calculations are performed at the CCSD(T)/def2-TZVPPD level of theory.

13. Formation of FKrCN in a Kr matrix
2. Results
2.2. Fluorinated noble-gas cyanides (YNgY’)
Formation of FKrCN in a Kr matrix
Deposition and photolysis by UV light FKrCN formed (3 K)
Annealing at 25 K
F + Kr + CN FKrCN 
Decompostion by UV light
FKrCN F + Kr + CN h
C. Zhu, M. Räsänen, and L. Khriachtchev, J. Chem. Phys. 143, (2015)

14. Calculated and experimental frequencies of
2. Results
2.2. Fluorinated noble-gas cyanides (YNgY’)
2.2 Noble-gas compound (YNgY’)
Calculated and experimental frequencies of
FKrCN, FXeCN, and FXeNC
Calculated
frequencies, cm-1
Experimental
FKrCN
357.4
357
505.8
505
2185.3
2158
FXeCN
384.0
366
496.1
487
2191.8
2159
FXeNC
397.1 -
524.4
517
2069.4
2041
The calculations are performed at the CCSD(T)/def2-TZVPPD level of theory.

15. 3. Results in brief
Two new noble-gas hydrides are synthesized: HKrCCCl and HXeCCCl
Three fluorinated noble-gas cyanides are synthesized: FKrCN, FXeCN, and FXeNC

16. Thank you!