Hindered rotation and site structure of CD/sub 4/ trapped in rare gas solids

Journal Article · Thu Oct 15 04:00:00 EDT 1987 · J. Chem. Phys.; (United States)

OSTI ID:6146899

Jones, L H; Ekberg, S A

High resolution infrared absorption spectra have been recorded for the ..nu../sub 4/ vibrational mode of CD/sub 4/ trapped in solid argon and krypton. As with CH/sub 4/, evidence for two dominant sites was found: one with a cubic close-packed (CCP) environment and the other with a hexagonal close-packed (HCP) environment. The fine structure for the CCP site resembles that for a tetrahedral molecule rotating in an octahedral field: singlet peaks for P(1), Q(1), and R(0), and a doublet for R(1). The fine structure for the HCP site is more complex and is not assigned to specific rotational transitions. By high temperature annealing it was possible to eliminate the HCP site completely with increase in concentration of the more stable CCP site. The slow relaxation of nuclear spin found for CH/sub 4/, from an F state (J = 1) to an A state (J = 0), was found to be two orders of magnitude faster for CD/sub 4/.

• Research Organization: Los Alamos National Laboratory, Group INC-4 MS C346, Los Alamos, New Mexico 87545
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 6146899
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 87:8; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ALKANES
ANNEALING
CONFORMATIONAL CHANGES
DEUTERIUM COMPOUNDS
ELEMENTS
FLUIDS
GASES
HEAT TREATMENTS
HYDROCARBONS
HYDROGEN COMPOUNDS
INFRARED SPECTRA
MATRIX ISOLATION
METHANE
NONMETALS
ORGANIC COMPOUNDS
RARE GASES
SPECTRA
TRAPPING