The permanent electric dipole moment and hyperfine interactions in platinum monofluoride, PtF

被引:10
作者
Qin, Chengbing [1 ]
Zhang, Ruohan [1 ]
Wang, Fang [1 ]
Steimle, Timothy C. [1 ]
机构
[1] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA
关键词
H BOND ACTIVATION; C-F; ELECTROPHILIC FLUORINATION; AB-INITIO; SPECTROSCOPY; COMPLEXES; CONSTANTS; MECHANISM; SPECTRUM; METHANOL;
D O I
10.1063/1.4734596
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The [11.9]Omega = 3/2 <- X (2)Pi(3/2)(0,0) and (1,0) bands of platinum monofluoride, PtF, have been recorded field-free and in the presence of a static electric field. The F-19(I = 1/2) and Pt-195(I = 1/2) magnetic hyperfine interactions have been analyzed and compared with predicted values obtained using atomic information and a proposed molecular orbital correlation diagram. The optical Stark shifts were analyzed to produce the permanent electric dipole moments, (mu) over right arrow (el), of 2.47(11)D and 3.42(6)D for the [11.9]Omega = 3/2 and X-2 Pi(3/2) states, respectively. The observed trend in (mu) over right arrow (el) for the PtX (X = C,N,O,S and F) series is discussed and a comparison with IrF made. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4734596]
引用
收藏
页数:9
相关论文
共 38 条
[1]  
[Anonymous], 2013, Introduction to computational chemistry
[2]   C-H Bond Activation in Transition Metal Species from a Computational Perspective [J].
Balcells, David ;
Clot, Eric ;
Eisenstein, Odile .
CHEMICAL REVIEWS, 2010, 110 (02) :749-823
[3]   The electronic spectrum of gaseous CoO in the visible region [J].
Barnes, M ;
Clouthier, DJ ;
Hajigeorgiou, PG ;
Huang, G ;
Kingston, CT ;
Merer, AJ ;
Metha, GF ;
Peers, JRD ;
Rixon, SJ .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1997, 186 (02) :374-402
[4]   Laser-induced fluorescence and Optical/Stark spectroscopy of PtC [J].
Beaton, SA ;
Steimle, TC .
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (24) :10876-10882
[5]   C-F Bond Activation of Highly Fluorinated Molecules at Rhodium: From Model Reactions to Catalysis [J].
Braun, Thomas ;
Wehmeier, Falk .
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2011, (05) :613-625
[6]   TEST OF ADVANCED HYPERFINE-STRUCTURE THEORY BY PRECISION RADIO-FREQUENCY AND LASER SPECTROSCOPY IN MOLYBDENUM [J].
BRENNER, T ;
BUTTGENBACH, S ;
JACOBS, J ;
KOSTER, M ;
ROEDER, H ;
RUPPRECHT, W ;
TRABER, F .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1988, 10 (01) :59-70
[7]  
Brown J M., 2003, Rotational Spectroscopy of Diatomic Molecules
[8]   RADIO-FREQUENCY SPECTROSCOPY IN THE STATES 3D3,2 OF PLATINUM [J].
BUTTGENBACH, S ;
GLAESER, N ;
ROSKI, B ;
TRABER, F .
ZEITSCHRIFT FUR PHYSIK A-HADRONS AND NUCLEI, 1984, 317 (03) :237-240
[9]  
BUTTGENBACH S, 1982, SPRINGER TRACTS MODE
[10]   HYPERFINE STRUCTURE OF 9 LEVELS IN 2 CONFIGURATIONS OF V51 .2. THEORETICAL [J].
CHILDS, WJ .
PHYSICAL REVIEW, 1967, 156 (01) :71-&