激光诱导荧光技术研究若干自由基的光谱及其斯塔克和塞曼效应
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摘要
本论文设计和搭建了一套激光诱导荧光实验装置,并将之与超声射流冷却、气体放电等技术相结合,研究了NiCl、NiS和NiO自由基在若干激光波长范围内的激光诱导荧光激发谱和色散谱。同时作者在美国亚利桑那州州立大学联合培养期间,通过激光诱导荧光激技术研究了PtF、BaS、TiH/TiD等自由基的光谱及其斯塔克和塞曼效应。通过光谱分析,得到了以下主要研究成果：
1.含镍自由基低分辨光谱研究
在超声射流条件下,通过Ni针放电与CH2Cl2、H2S、O2与Ar的混合气反应制备了NiCl、NiS和NiO自由基。研究了NiCl在12500-15000cm-1范围内的光谱,转动分析了[13.0]2Π3/2(u'=0-5)-X2Π3/2(u"=0)跃迁序列,获得了激发态各振动态的转动常数,同位素位移,寿命等分子常数。研究了NiS在720-820nm范围内的光谱,将NiS的四个振动带归属为[12.4]3∑0-(v'=0-3)-X3∑0-(v"=0)跃迁序列,得到了转动常数,同位素位移和平衡常数等在内的分子参数。研究了NiO在510-650nm范围内的光谱,转动分析了55个谱带,因其不规则的振动间隔和同位素位移,仅将其中26个谱带归属为5个振动序列,同时通过色散谱研究了NiO基态的振动常数。
2.PtF自由基高分辨光谱及斯塔克效应研究
在超声射流分子束中通过激光溅射产生了PtF,利用激光诱导荧光研究了PtF的[11.9]Ω=3/2←X2Π3/2的光谱及其在静电场中的斯塔克效应。分析获得了激发态更为精确的转动常数,并首次获得了激发态的磁超精细常数。从对斯塔克光谱的分析中获得了基态和激发态的偶极矩,比较了PtF与其他含Pt双原子分子及IrF的偶极矩,对偶极矩的变化给出了定性解释。
3.BaS斯塔克光谱研究
通过斯塔克光谱测量了BaS基态X1∑+(v=0)和激发态A1∑+(u=3)的永久电偶极矩,新得到的偶极矩值比之前分子束共振技术所得值更为精确,且基态偶极矩值比之前也略大(10.86(2)D),基态偶极矩与激发态的变化与分子轨道理论推测的情况相符。
4.TiH/TiD塞曼光谱研究
在超声射流冷却条件下观察了TiH和TiD的B4ΓF5/2-X4Φ3/2光谱及其在0-5kG范围内的塞曼光谱,通过分析给出了他们的分子参数。结果表明,理论预测的5个低电子态对基态X4Φ3/2的微扰几乎可以忽略不计,但激发态B4Γ5/2的塞曼常数表现出强烈的转动量子数依赖性,分析指出此现象可能来自于附近4Φ3/2的微扰。
The main contributions presented in this dissertation are a newly built Laser-induced fluorescence (LIF) apparatus, the study on the low resoulution spectra of NiC1、NiS and NiO, and high resoulution spectra with their Stark and Zeeman effects of PtF、BaS、TiH/TiD,by using LIF combined with the techniques of gas discharge and laser ablation in supersonic molecular beam.
1.Study on the low resolution spectroscopics of nickel containing radicals
The NiC1、NiS and NiO radicals were produced in a supersonic jet by DC pin discharge of a mixture of CH2C12、H2S、O2in Ar. The LIF spectra of NiCl in12500-15000cm-1region were recorded and attributated to the [13.0]2Π3/2(ν=0-5)-X2Π3/2(ν"=0) transitions, the rotational constants, isotopic shifts and lifetimes were determined by rotational analysis.The LIF spectra of NiS in the region of720-820nm were recorded and rotationally analyzed, four vibronic bands were assigned to [12.4]3Σ0-(ν'=0-3)-X3Σ0-(ν"=0) transitions.55bands were rotationally analyzed for NiO in510-650nm, only26vibronic bands were grouped into five transition progressions due to their highly irregular isotopic shifts and vibrational intervals. Furthermore, dispersed fluorescence and lifetimes of the strong bands have also been measured.
2. Study on the high resolution spectrum and its Stark effect of PtF
The[11.9]Ω=3/2←X2Π3/2bands of PtF have been recorded field-free and in the present of a static electric field. The high precision rotational constants for the excited state and magnetic hyperfine interactions for19F and195Pt have been analyzed.The optical Stark shifts were analyzed to produced the permanent electric dipole moments, μel of2.47(11) D and3.42(6) D for[11.9] Ω=3/2and X2Π3/2states, respectively. The observed trend in μel for the PtX (X=C, N, O, S, and F) series and IrF are discussed.
3. Study on the Stark spectrum of BaS
The R(0) and R(1)lines of theA1Σ+(ν=3)-X1Σ+(ν=0) band of the138Ba32S were recorded at high resolution(full width at half maximun, FWHM≌35MHz) and at a field strength of up to3100V/cm. The observed Stark shifts were analyzed to produce permanent electric dipole moments, μel of10.765(8) D and5.586(22) D for the X1Σ+(ν=0) and A1Σ+(ν=3)states, respectively. The relative values of μel for BaO and BaS are discussed.
4. Study on the Zeeman spectra of TiH/TiD
The Zeeman effect in the(0,0) bands of B4Γ5/2-X4φ3/2system of TiH/TiD has been recorded and analyzed. Magnetic tuning of the spectral features recorded at high resolution (FWHM≌35MHz) and at a field strength of4.5kG is accurately modeled using an effective Zeeman Hamiltonian. The determined magnetic g factors for the X4φ3/2(v=0) state deviate only slightly from the expected, while the g factors for the B4Γ5/2(v=0) states deviate significantly from those of an isolated B4Γs/2state.The rotational dependence of the magnetic tuning in the state B4Γ5/2(ν=0) is attribuated to perturbation from a nearby4φ3/2state.
1.含镍自由基低分辨光谱研究
在超声射流条件下,通过Ni针放电与CH2Cl2、H2S、O2与Ar的混合气反应制备了NiCl、NiS和NiO自由基。研究了NiCl在12500-15000cm-1范围内的光谱,转动分析了[13.0]2Π3/2(u'=0-5)-X2Π3/2(u"=0)跃迁序列,获得了激发态各振动态的转动常数,同位素位移,寿命等分子常数。研究了NiS在720-820nm范围内的光谱,将NiS的四个振动带归属为[12.4]3∑0-(v'=0-3)-X3∑0-(v"=0)跃迁序列,得到了转动常数,同位素位移和平衡常数等在内的分子参数。研究了NiO在510-650nm范围内的光谱,转动分析了55个谱带,因其不规则的振动间隔和同位素位移,仅将其中26个谱带归属为5个振动序列,同时通过色散谱研究了NiO基态的振动常数。
2.PtF自由基高分辨光谱及斯塔克效应研究
在超声射流分子束中通过激光溅射产生了PtF,利用激光诱导荧光研究了PtF的[11.9]Ω=3/2←X2Π3/2的光谱及其在静电场中的斯塔克效应。分析获得了激发态更为精确的转动常数,并首次获得了激发态的磁超精细常数。从对斯塔克光谱的分析中获得了基态和激发态的偶极矩,比较了PtF与其他含Pt双原子分子及IrF的偶极矩,对偶极矩的变化给出了定性解释。
3.BaS斯塔克光谱研究
通过斯塔克光谱测量了BaS基态X1∑+(v=0)和激发态A1∑+(u=3)的永久电偶极矩,新得到的偶极矩值比之前分子束共振技术所得值更为精确,且基态偶极矩值比之前也略大(10.86(2)D),基态偶极矩与激发态的变化与分子轨道理论推测的情况相符。
4.TiH/TiD塞曼光谱研究
在超声射流冷却条件下观察了TiH和TiD的B4ΓF5/2-X4Φ3/2光谱及其在0-5kG范围内的塞曼光谱,通过分析给出了他们的分子参数。结果表明,理论预测的5个低电子态对基态X4Φ3/2的微扰几乎可以忽略不计,但激发态B4Γ5/2的塞曼常数表现出强烈的转动量子数依赖性,分析指出此现象可能来自于附近4Φ3/2的微扰。
The main contributions presented in this dissertation are a newly built Laser-induced fluorescence (LIF) apparatus, the study on the low resoulution spectra of NiC1、NiS and NiO, and high resoulution spectra with their Stark and Zeeman effects of PtF、BaS、TiH/TiD,by using LIF combined with the techniques of gas discharge and laser ablation in supersonic molecular beam.
1.Study on the low resolution spectroscopics of nickel containing radicals
The NiC1、NiS and NiO radicals were produced in a supersonic jet by DC pin discharge of a mixture of CH2C12、H2S、O2in Ar. The LIF spectra of NiCl in12500-15000cm-1region were recorded and attributated to the [13.0]2Π3/2(ν=0-5)-X2Π3/2(ν"=0) transitions, the rotational constants, isotopic shifts and lifetimes were determined by rotational analysis.The LIF spectra of NiS in the region of720-820nm were recorded and rotationally analyzed, four vibronic bands were assigned to [12.4]3Σ0-(ν'=0-3)-X3Σ0-(ν"=0) transitions.55bands were rotationally analyzed for NiO in510-650nm, only26vibronic bands were grouped into five transition progressions due to their highly irregular isotopic shifts and vibrational intervals. Furthermore, dispersed fluorescence and lifetimes of the strong bands have also been measured.
2. Study on the high resolution spectrum and its Stark effect of PtF
The[11.9]Ω=3/2←X2Π3/2bands of PtF have been recorded field-free and in the present of a static electric field. The high precision rotational constants for the excited state and magnetic hyperfine interactions for19F and195Pt have been analyzed.The optical Stark shifts were analyzed to produced the permanent electric dipole moments, μel of2.47(11) D and3.42(6) D for[11.9] Ω=3/2and X2Π3/2states, respectively. The observed trend in μel for the PtX (X=C, N, O, S, and F) series and IrF are discussed.
3. Study on the Stark spectrum of BaS
The R(0) and R(1)lines of theA1Σ+(ν=3)-X1Σ+(ν=0) band of the138Ba32S were recorded at high resolution(full width at half maximun, FWHM≌35MHz) and at a field strength of up to3100V/cm. The observed Stark shifts were analyzed to produce permanent electric dipole moments, μel of10.765(8) D and5.586(22) D for the X1Σ+(ν=0) and A1Σ+(ν=3)states, respectively. The relative values of μel for BaO and BaS are discussed.
4. Study on the Zeeman spectra of TiH/TiD
The Zeeman effect in the(0,0) bands of B4Γ5/2-X4φ3/2system of TiH/TiD has been recorded and analyzed. Magnetic tuning of the spectral features recorded at high resolution (FWHM≌35MHz) and at a field strength of4.5kG is accurately modeled using an effective Zeeman Hamiltonian. The determined magnetic g factors for the X4φ3/2(v=0) state deviate only slightly from the expected, while the g factors for the B4Γ5/2(v=0) states deviate significantly from those of an isolated B4Γs/2state.The rotational dependence of the magnetic tuning in the state B4Γ5/2(ν=0) is attribuated to perturbation from a nearby4φ3/2state.
引文
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