Positive Ion Chemistry of SiH 4 /NF 3 Gaseous Mixtures Studied by Ion Trap Mass Spectrometry

Abstract

The positive ion chemistry occurring in silane/nitrogen trifluoride gaseous mixtures has been investigated by ion trap mass spectrometry. Reaction sequences and rate constants have been determined for the processes involving the primary ions SiH_n⁺ (n = 0–3) and NF_x⁺ (x = 1–3) and the secondary ions obtained from their reactions with SiH₄ and NF₃. The SiH_n⁺ efficiently react with NF₃ and undergo cascades of abstraction and scrambling reactions which form the fluorinated and perfluorinated cations SiHF_m⁺ (m = 1, 2), SiH₂F⁺ and SiF_x⁺ (x = 1–3). Fluorinated Si₂-clusters such as Si₂H₂F⁺, Si₂H₃F⁺ and Si₂H₅F⁺ were also observed. The reaction of both SiH₃⁺ and SiH₂F⁺ with NF₃ produces the elusive fluoronitrenium ion NHF⁺. Any NF_x⁺ reacts with SiH₄ mainly by charge transfer. Additional ionic products are, however, observed which suggest intimate reaction complexes. Worth mentioning is the formation of SiNH₂⁺ from the reaction of both NF⁺ and NHF⁺ with SiH₄. The primary ions NF₂⁺ and SiH₃⁺ are also “sink” species in our observed chemistry.

Keywords

cationic silicon fluorides gas-phase ion chemistry ion trap mass spectrometry nitrogen trifluoride silane

References

Hess

G.G.

and Lampe

F.W.

, “Ionic reactions in gaseous monosilane”, J. Chem. Phys. 44, 2257 (1966). doi: 10.1063/1.1727031

T.-Y.

Cheng

T.M.H.

Kempter

and Lampe

F.W.

, “Ionic reactions in monosilane. Some radiation chemistry implications”, J. Phys. Chem. 76, 3321 (1972). doi: 10.1021/j100667a005

Henis

J.M.S.

Stewart

G.W.

Tripodi

M.K.

and Gaspar

P.P.

, “Ion–molecule reactions in silane”, J. Chem. Phys. 57, 389 (1972). doi: 10.1063/1.1677978

Henis

J.M.S.

Stewart

G.W.

and Gaspar

P.P.

, “Endothermic ion-molecule reactions in silane”, J. Chem. Phys. 58, 3639 (1973). doi: 10.1063/1.1679712

Mayer

T.M.

and Lampe

F.W.

, “Kinematics of hydride–ion and hydrogen–atom transfer reactions in monosilane”, J. Phys. Chem. 78, 2195 (1974). doi: 10.1021/j100615a004

Boo

B.H.

and Armentrout

P.B.

, “Reaction of silicon ion (²P) with silane (SiH₄, SiD₄). Heats of formation of SiH_n, SiH_n⁺ (n = 1, 2, 3), and Si₂H_n⁺ (n = 0, 1, 2, 3). Remarkable isotope exchange reaction involving four hydrogen shifts”, J. Am. Chem. Soc. 109, 3549 (1987). doi: 10.1021/ja00246a010

Hiraoka

Katsuragawa

and Minamitsu

, “Thermochemistry of the SiH₃⁺(SiH₄)_n and SiH₃⁺(H₂)_n cluster ions”, Chem. Phys. Lett. 267, 580 (1997). doi: 10.1016/S0009-2614(97)00152-8

Kanayama

and Murakami

, “Ion trap for mass-selective production of nanoclusters”, J. Vacuum Sci. Technol. B 15, 2882 (1997). doi: 10.1116/1.589749

Kessels

W.M.M.

Leewis

C.M.

van de Sanden

M.C.M.

and Schram

D.C.

, “Formation of cationic silicon clusters in a remote silane plasma and their contribution to hydrogenated amorphous silicon film growth”, J. Appl. Phys. 86, 4029 (1999). doi: 10.1063/1.371324

10.

Mandich

M.L.

Reents

W.D.

Jr and Jarrold

M.F.

, “Sequential clustering reactions of Si⁺ with SiD₄: Identification of a bottleneck preventing rapid growth of hydrogenated silicon particles”, J. Chem. Phys. 88, 1703 (1988). doi: 10.1063/1.454737

11.

Mandich

M.L.

and Reents

W.D.

Jr , “Sequential clustering reactions of SiD⁺ with SiD₄: Rapid growth to kinetic dead-end structures”, J. Chem. Phys. 95, 7360 (1991). doi: 10.1063/1.461362

12.

Reents

W.D.

Jr and Mandich

M.L.

, “Sequential reactions of SiD₂⁺ with SiD₄”, J. Chem. Phys. 96, 4429 (1992). doi: 10.1063/1.462834

13.

Mandich

M.L.

Reents

W.D.

Jr and Kolenbrander

K.D.

, “Sequential clustering reactions of SiD₃⁺ with SiD₄ and SiH₃⁺ with SiH₄: Another case of arrested growth of hydrogenated silicon particles”, J. Chem. Phys. 92, 437 (1990). doi: 10.1063/1.458446

14.

Reents

W.D.

Jr and Mandich

M.L.

, “Hydrogen/deuterium isotope exchange reaction of SiH₃⁺ with SiD₄ and SiD₃⁺ with SiH₄: Evidence for hydride stripping reactions”, J. Chem. Phys. 93, 3270 (1990). doi: 10.1063/1.458860

15.

Mandich

M.L.

and Reents

W.D.

Jr , “Sequential reactions of bare silicon clusters with SiD₄: Constrained heterogeneous nucleation of deuterated silicon particles”, J. Chem. Phys. 90, 3121 (1989). doi: 10.1063/1.456667

16.

Raghavachari

, “Sequential clustering reactions of Si⁺ with silane: A theoretical study of the reaction mechanisms”, J. Chem. Phys. 88, 1688 (1988). doi: 10.1063/1.454147

17.

Raghavachari

, “Sequential clustering reactions of SiH⁺ with silane: An ab initio molecular orbital study”, J. Chem. Phys. 95, 7373 (1991). doi: 10.1063/1.461363

18.

Raghavachari

, “Sequential reactions of SiH₂⁺ with silane: A theoretical study”, J. Chem. Phys. 96, 4440 (1992). doi: 10.1063/1.462835

19.

Raghavachari

, “Theoretical studies of clustering reactions. Sequential reactions of SiH₃⁺ with silane”, J. Chem. Phys. 92, 452 (1990). doi: 10.1063/1.458448

20.

Beggs

D.P.

and Lampe

F.W.

, “Ionic reactions in gaseous mixtures of monosilane with methane and benzene”, J. Phys. Chem. 73, 4194 (1969). doi: 10.1021/j100846a027

21.

Cheng

T.M.H.

T.-Y.

and Lampe

F.W.

, “Ion–molecule reactions in monosilane–methane mixtures”, J. Phys. Chem. 77, 2587 (1973). doi: 10.1021/j100640a001

22.

Allen

W.N.

and Lampe

F.W.

, “Direct detection of energy-rich collision complexes in the reactions of Si⁺, SiH⁺, and SiH₃⁺ ions with benzene”, J. Chem. Phys. 65, 3378 (1976). doi: 10.1063/1.433470

23.

Cheng

T.M.H.

and Lampe

F.W.

, “Positive-ion reactions in monosilane-water mixtures”, J. Phys. Chem. 77, 2841 (1973). doi: 10.1021/j100642a004

24.

Mayer

M.T.

and Lampe

F.W.

, “Ion–molecule reactions in monosilane–acetylene mixtures”, J. Phys. Chem. 78, 2645 (1974). doi: 10.1021/j100619a002

25.

Mayer

M.T.

and Lampe

F.W.

, “Ion–molecule reactions in monosilane–ethylene mixtures”, J. Phys. Chem. 78, 2433 (1974). doi: 10.1021/j100617a004

26.

Allen

W.L.

and Lampe

F.W.

, “Persistent collision complexes in the reaction of silyl ions with ethylene”, J. Am. Chem. Soc. 99, 6816 (1977). doi: 10.1021/ja00463a005

27.

Abernathy

R.N.

and Lampe

F.W.

, “The role of collision complexes in the reaction of silyl ions with ethylene”, J. Am. Chem. Soc. 103, 2573 (1981). doi: 10.1021/ja00400a015

28.

Abernathy

R.N.

and Lampe

F.W.

, “Collisional moderation by foreign gases in the reaction of silyl ion SiH₃⁺ with C₂H₄”, Int. J. Mass Spectrom. Ion Phys. 51, 3 (1983). doi: 10.1016/0020-7381(83)85022-0

29.

Allen

W.N.

Cheng

T.M.H.

and Lampe

F.W.

, “Ion–molecule reactions in SiH₄-D₂ mixtures”, J. Chem. Phys. 66, 3371 (1977). doi: 10.1063/1.434422

30.

Bare

J.P.

and Lampe

F.W.

, “Free-radical chain formation of siloxanes in the radiolysis of monosilane-nitric oxide mixtures”, J. Phys. Chem. 81, 1437 (1977). doi: 10.1021/j100530a001

31.

Reuter

K.A.

and Jacobson

D.B.

, “Novel hydrogen/methyl exchange between SiH_x(CH₃)_3-x⁺ (x = 1–3) and propene in the gas phase”, Organometallics 8, 1126 (1989). doi: 10.1021/om00106a046

32.

Lim

K.P.

and Lampe

F.W.

, “The reactions of silyl ions with chloromethanes”, Int. J. Mass Spectrom. Ion Processes 92, 53 (1989). doi: 10.1016/0168-1176(89)83018-6

33.

Lim

K.P.

and Lampe

F.W.

, “Ion/molecule reactions in silane–carbon monoxide mixtures: Possible synthesis of the SiC radical in the electric discharge chemistry”, Int. J. Mass Spectrom. Ion Processes 101, 245 (1990). doi: 10.1016/0168-1176(90)87014-8

34.

Haller

, “Ion-molecule reactions in the silane–ammonia system”, J. Phys. Chem. 94, 4135 (1990). doi: 10.1021/j100373a047

35.

Tachibana

Kawauchi

Yoshido

Yamabe

and Fukui

, “Ion–molecule reactions between SiH₃⁺ and NH₃”, J. Mol. Struct. 300, 501 (1993). doi: 10.1016/0022-2860(93)87042-8

36.

Kickel

B.L.

Griffin

J.B.

and Armentrout

P.B.

, “Guided ion beam studies of the reactions of O⁺, O₂⁺, N⁺ and N₂⁺ with SiH₄”, Z. Phys. D 24, 101 (1992). doi: 10.1007/BF01426693

37.

Bano

Luca

Glosik

Zakouril

and Lindinger

, “Formation of SiH₃⁺ ions in reactions of small hydrocarbon ions with SiH₄”, Czech. J. Phys. 50, 251 (2000).

38.

Hitchman

M.L.

and Jensen

K.F.

, Chemical vapour deposition: Principles and applications. Academic Press, London, UK (1993).

39.

Stinespring

C.D.

and Wormhoudt

J.C.

, “Gas phase kinetics analysis and implications for silicon carbide chemical vapor deposition”, J. Cryst. Growth 87, 481 (1988). doi: 10.1016/0022-0248(88)90096-6

40.

Allendorf

M.D.

and Kee

R.J.

, “A model of silicon carbide chemical vapor deposition”, J. Electrochem. Soc. 138, 841 (1991). doi: 10.1149/1.2085688

41.

Williams

K.L.

Martin

I.T.

and Fisher

E.R.

, “On the importance of ions and ion–molecule reactions to plasma surface interface reactions”, J. Am. Soc. Mass Spectrom. 13, 518 (2002). doi: 10.1016/S1044-0305(02)00371-9

42.

Gal

J.-F.

Grover

Maria

P.-C.

Operti

Rabezzana

Vaglio

G.-A.

and Volpe

, “Gas-phase N–Si ion clusters in ammonia/silane mixtures”, J. Phys. Chem. 98, 11978 (1994). doi: 10.1021/j100097a025

43.

Antoniotti

Operti

Rabezzana

Vaglio

G.-A.

Volpe

Gal

J.-F.

Grover

and Maria

P.-C.

, “Gas phase ion–molecule reactions in phosphine/silane mixtures”, J. Phys. Chem. 100, 155 (1996). doi: 10.1021/jp951439u

44.

Antoniotti

Canepa

Operti

Rabezzana

Tonachini

and Vaglio

G.-A.

, “Gas-phase ion chemistry of silane with ethane and ethyne”, J. Organomet. Chem. 589, 150 (1999). doi: 10.1016/S0022-328X(99)00397-6

45.

Antoniotti

Canepa

Operti

Rabezzana

Tonachini

and Vaglio

G.-A.

, “Experimental and theoretical study of the formation of silicon–carbon ion species in gaseous silane/ethene mixtures”, J. Phys. Chem. A 103, 10945 (1999). doi: 10.1021/jp992722m

46.

Antoniotti

Operti

Rabezzana

Vaglio

G.-A.

and Volpe

, “Gas phase ion chemistry in silane/propane and silane/propene mixtures”, Int. J. Mass Spetrom. 190/191, 243 (1999). doi: 10.1016/S1387-3806(99)00024-X

47.

Benzi

Operti

and Rabezzana

, “Ion chemistry in XH₄/allene (X = Ge, Si) gaseous mixtures—formation of X-C bonds”, Eur. J. Inorg. Chem. 505 (2000). doi: 10.1002/(SICI)1099-0682(199903)2000:3

48.

Canepa

Maranzana

Operti

Rabezzana

and Vaglio

G.-A.

, “Selectivity in gas-phase ion chemistry. Competitive fast reactions in a silane/propene system”, Organometallics 20, 4593 (2001). doi: 10.1021/om010339+

49.

Operti

Rabezzana

Turco

and Vaglio

G.-A.

, “Gas-phase ion chemistry in silane/propyne mixtures”, Int. J. Mass Spectrom. 227, 235 (2003). doi: 10.1016/S1387-3806(03)00124-6

50.

Calderan

Carbone

Operti

Rabezzana

and Vaglio

G.-A.

, “Gas-phase ion chemistry in the ternary SiH₄–C₃H₆–NH₃ system”, J. Mass Spectrom. 37, 1205 (2002). doi: 10.1002/jms.379

51.

Calderan

Operti

Rabezzana

and Vaglio

G.-A.

, “Gas-phase ion chemistry in the ternary SiH₄–C₃H₆–PH₃ system”, J. Mass Spectrom. 37, 155 (2002). doi: 10.1002/jms.268

52.

Operti

Rabezzana

Turco

and Vaglio

G.-A.

, “Gas-phase ion chemistry of the allene–phosphine and silane–allene–phosphine systems”, J. Mass Spectrom. 39, 665 (2004). doi: 10.1002/jms.639

53.

Operti

Rabezzana

Turco

and Vaglio

G.-A.

, “Gas-phase ion chemistry in the ternary silane–propyne–phosphine system”, J. Mass Spectrom. 39, 682 (2004). doi: 10.1002/jms.641

54.

Operti

Rabezzana

Turco

and Vaglio

G.-A.

, “Gas-phase ion chemistry of the propyne/ammonia and silane/propyne/ammonia systems”, Int. J. Mass Spectrom. 232, 139 (2004). doi: 10.1016/j.ijms.2003.12.010

55.

Operti

Rabezzana

Turco

and Vaglio

G.-A.

, “Gas-phase ion chemistry in XH₄–C₃H₄–ZH₃ (X = Si, Ge; Z = N, P) mixtures”, J. Mass Spectrom. 40, 591 (2005). doi: 10.1002/jms.825

56.

Antoniotti

Borocci

Bronzolino

Giordani

and Grandinetti

, “Cationic germanium fluorides: A theoretical investigation on the structure, stability, and thermochemistry of GeF_n/GeF_n⁺ (n = 1–3)” J. Phys. Chem. A 110, 4900 (2006). doi: 10.1021/jp057064m

57.

Antoniotti

Rabezzana

Borocci

Bronzolino

Giordani

and Grandinetti

, “Cationic germanium fluorides. 2. An experimental and theoretical investigation on the reaction between GeF⁺ and H₂O”, Int. J. Mass Spectrom. 257, 50 (2006). doi: 10.1016/j.ijms.2006.06.016

58.

Antoniotti

Borocci

Bronzolino

Giordani

and Grandinetti

, “Fluoromethyl cations and group XIV congeners AH_nF_3–n⁺ (A = Si, Ge, Sn, Pb; n = 0–2): From covalent structures to ion-molecule complexes”, Eur. J. Inorg. Chem. 3010 (2006). doi: 10.1002/ejic.200600388

59.

Antoniotti

Operti

Rabezzana

Turco

and Vaglio

G.A.

, “Gas-phase ion chemistry of Si⁺ and NF₃: An experimental and theoretical study”, Int. J. Mass Spectrom. 255, 225 (2006). doi: 10.1016/j.ijms.2006.01.010

60.

Krause

J.R.

and Lampe

F.W.

, “Extensive redistribution of fluorine and hydrogen in the reaction of CF₃⁺ with SiH₄”, J. Am. Chem. Soc. 98, 7826 (1976). doi: 10.1021/ja00440a065

61.

Krause

J.R.

and Lampe

F.W.

, “Ion-molecule reactions in SiH₄–CF₄ mixtures”, J. Phys. Chem. 81, 281 (1977). doi: 10.1021/j100519a001

62.

Hitchman

M.L.

Zhao

Shamlian

S.H.

Affrossman

Hartshorne

Maydell

E.A.

and Kheyrandish

, “Studies of the effects of NF₃ on the growth of poly-silicon films by low-pressure CVD. 3. Effect on composition”, J. Mat. Chem. 4, 1835 (1994). doi: 10.1039/JM9940401835

63.

Livengood

R.E.

and Hess

D.W.

, “Plasma enhanced chemical vapor deposition of fluorinated silicon nitride using silane–ammonia–nitrogen trifluoride mixtures”, Appl. Phys. Lett. 50, 560 (1987). doi: 10.1063/1.98134

64.

Gomez-Aleixandre

Sanchez

and Albella

J.M.

, “Preparation and properties of PECVD silicon nitride films from SiH₄ + NH₃ and/or NF₃ and SiF₄ + NH₃ gas mixtures”, Mater. Sci. Forum 140–142, 319 (1993).

65.

Goh

H.C.

Tan

S.M.

Naseem

H.A.

Ang

S.S.

and Brown

W.D.

, “Wide bandgap fluorinated silicon–carbidenitride films using nitrogen trifluoride”, Mater. Res. Soc. Symp. Proc. 219, 763 (1991).

66.

Kim

J.-H.

Chung

C.-O.

Sheen

Sohn

Y.-S.

Sohn

H.-C.

Kim

J.-W.

and Park

S.-W.

, “Effect of fluorine incorporation on silicon dioxide prepared by high density plasma chemical vapor deposition with SiH₄/O₂/NF₃ chemistry”, J. Appl. Phys. 96, 1435 (2004). doi: 10.1063/1.1767979

67.

Ignacio

E.W.

and Schlegel

H.B.

, “An ab initio study of the structures and heats of formation of SiH_mF_n⁺ (m + n = 1–4)”, J. Phys. Chem. 94, 7439 (1990). doi: 10.1021/j100382a024

68.

Ignacio

E.W.

and Schlegel

H.B.

, “Heats of formation of SiH_mF_n calculated by ab initio molecular orbital methods”, J. Chem. Phys. 92, 5404 (1990). doi: 10.1063/1.458518

69.

and Melius

C.F.

, “A theoretical study of the thermochemistry of SiF_n and SiH_nF_m compounds and Si₂F₆”, J. Phys. Chem. 94, 5120 (1990). doi: 10.1021/j100375a047

70.

Harrison

J.F.

and Eakers

C.W.

, “Electronic structure of reactive intermediates. The nitrenium ions NH₂⁺, NHF⁺, and NF₂⁺”, J. Am. Chem. Soc. 95, 3467 (1973). doi: 10.1021/ja00792a004

71.

Gobbi

and Frenking

, “The lowest lying singlet and triplet states of the halonitrenium ions NX₂⁺ and NHX⁺ and a comparison with the carbon analogues CX₂ and CHX (X = F, Cl, Br, I). A theoretical study”, Bull. Chem. Soc. Jpn. 66, 3153 (1993). doi: 10.1246/bcsj.66.3153

72.

Gonzalez

Restrepo-Cossio

Márquez

Wiberg

K.B.

and De Rosa

, “Ab initio study of the solvent effects on the singlet-triplet gap of nitrenium ions and carbenes”, J. Phys. Chem. A 102, 2732 (1998). doi: 10.1021/jp981150n

73.

Facchini

and Grandinetti

, “Concerning the reaction between singlet nitrenium ions and water: A computational investigation on competitive reaction paths”, J. Comput. Chem. 24, 547 (2003). doi: 10.1002/jcc.10182

74.

Antoniotti

Rabezzana

Turco

Borocci

Giordani

and Grandinetti

, “Ion chemistry in germane/fluorocompounds gaseous mixtures: A mass spectrometric and theoretical study”, J. Mass Spectrom. 43, 1320 (2008), doi: 10.1002/jms.1404

75.

Decouzon

Gal

J.F.

Maria

P.C.

and Tchinianga

A.S.

, Private communication.

76.

Operti

Splendore

Vaglio

G.A.

Franklin

A.M.

and Todd

J.F.J.

, “Investigation of the complex reactions of SiH₄ and GeH₄ in the ion trap using dynamically programmed scanning”, Int. J. Mass Spectrom. Ion Processes 136, 25 (1994). doi: 10.1016/0168-1176(94)04026-5

77.

March

R.E.

and Todd

J.F.J.

, Fundamentals of ion trap mass spectrometry, Vol. 1. CRC Press, Boca Raton, Florida, USA (1995).

78.

Remes

P.M.

and Glish

G.L.

, “Collisional cooling in a quadrupole ion trap at sub-ambient temperatures”, Int. J. Mass Spectrom. 265, 176 (2007). doi: 10.1016/j.ijms.2007.02.004

79.

Gronert

, “Estimation of effective ion temperatures in a quadrupole ion trap”, J. Am. Soc. Mass Spectrom. 9, 845 (1998). doi: 10.1016/S1044-0305(98)00055-5

80.

Gabelica

Karas

, and De Pauw

, “Calibration of ion effective temperatures achieved by resonant activation in a quadrupole ion trap”, Anal. Chem. 75, 5152 (2003). doi: 10.1021/ac034473a

81.

Vedel

, “On the dynamics and energy of ion clouds stored in a R.F. quadrupole trap”, Int. J. Mass Spectrom. Ion Processes 106, 33 (1991). doi: 10.1016/0168-1176(91)85011-A

82.

Hiraoka

Nasu

Fujimaki

and Yamabe

, “Gas-phase positive- and negative-ion–molecule reactions in NF₃”, J. Phys. Chem. 99, 15822 (1995). doi: 10.1021/j100043a021

83.

Linstrom

P.J.

and Mallard

W.G.

(Eds), NIST Chemistry Webbook, NIST Standard Reference Database Number 69. National Institute of Standards and Technology, Gaithersburg, MD, USA, June 2005, http://webbook.nist.govhttp//webbook.nist.gov

84.

Berkowitz

Greene

J.P.

Cho

and Ruščić

, “Photoionization mass spectrometric studies of SiH_n (n = 1–4)”, J. Chem. Phys. 86, 1235 (1987). doi: 10.1063/1.452213

85.

Doncaster

A.M.

and Walsh

, “Kinetics of the gas-phase reaction between iodine and monosilane and the bond dissociation energy D(H₃Si-H)”, Int. J. Chem. Kinet. 13, 503 (1981). doi: 10.1002/kin.550130508

86.

Barreto

P.R.P.

Vilela

A.F.A.

and Gargano

, “Thermochemistry of molecules in the B/F/H/N system”, Int. J. Quantum Chem. 103, 659 (2005). doi: 10.1002/qua.20566

87.

As discussed in Reference 59, similar to the reaction between Si⁺ and CF₄ (see Reference 61), the apparently endothermic formation of NF₂⁺ from the reaction between Si⁺ and NF₃ actually reflects the contribution of the electronically excited Si⁺(⁴P), which is less stable than Si⁺(²P) by 5.3 eV.

88.

Czernek

and Živný

, “An ab initio description of the low-lying electronic states of NF₂ and its ions”, Chem. Phys. Lett. 457, 54 (2008). doi: 10.1016/j.cplett.2008.04.039

89.

Fisher

J.J.

and McMahon

T.B.

, “Carbene-like character of gaseous ions. An ion cyclotron resonance and ab initio investigation of the reactions of difluoronitrenium ion with methane”, J. Am. Chem. Soc. 110, 7599 (1988). doi: 10.1021/ja00231a003

90.

Christe

K.O.

, “Novel onium salts. Synthesis and characterization of the difluoroammonium cation, NH₂F₂⁺”, Inorg. Chem. 14, 2821 (1975). doi: 10.1021/ic50153a045

91.

Christe

K.O.

, “Self-association in hyperfluorous acid and fluorimide. Which atoms are the better proton acceptors, fluorine, oxygen or nitrogen?”, J. Fluorine Chem. 35, 621 (1987). doi: 10.1016/S0022-1139(00)81960-0

92.

Graham

W.H.

and Freeman

J.P.

, “The alkylation of difluoroamine with carbonium ions”, J. Am. Chem. Soc. 89, 716 (1967). doi: 10.1021/ja00979a058

93.

Grandinetti

Cecchi

and Vinciguerra

, “Methylated NF₃. A G2MS theoretical study on the structure, stability, and interconversion of the CH₃–NF₃⁺ and CH₃F–NF₂⁺ isomers”, Chem. Phys. Lett. 281, 431 (1997). doi: 10.1016/S0009-2614(97)01320-1

94.

Goldberg

Hrušàk

Iraqi

and Schwarz

, “Gas-phase generation and characterization of SiNH₂⁺ and SiNH₂: A combined neutralization–reionization mass spectrometry and ab initio molecular orbital study”, J. Phys. Chem. 97, 10687 (1993). doi: 10.1021/j100143a027

95.

Parisel

Hanus

and Ellinger

, “Interstellar silicon–nitrogen chemistry. I. The microwave and the infrared signatures of the HSiN, HNSi, HSiNH₂, HNSiH₂ and HSiNH⁺ species”, Chem. Phys. 212, 331 (1996). doi: 10.1016/S0301-0104(96)00216-9

96.

Parisel

Hanus

and Ellinger

, “Interstellar silicon–nitrogen chemistry. 2. Spectral signatures of the SiNH₂⁺ molecular ion”, J. Phys. Chem. 100, 2926 (1996). doi: 10.1021/jp951359q

97.

Parisel

Hanus

and Ellinger

, “Interstellar silicon–nitrogen chemistry. III. The spectral signatures of the H₂SiN⁺ molecular ion”, J. Chem. Phys. 104, 1979 (1996). doi: 10.1063/1.470953

98.

Jursic

B.S.

, “Computational studies of interstellar silicon–nitrogen molecular species”, J. Mol. Struct. (Theochem) 455, 77 (1998). doi: 10.1016/S0166-1280(98)00243-7

99.

Czernek

and Živný

, “CCSD(T) calculations of equilibrium geometries and spectroscopic constants for the diatomics S₂, NF, NS, and their ions”, Chem. Phys. 303, 137 (2004). doi: 10.1016/j.chemphys.2004.05.014

100.

Falvey

D.E.

, “Nitrenium ions”, React. Intermed. Chem. 593 (2004).

101.

Cramer

C.J.

Dulles

F.J.

Storer

J.W.

and Worthington

S.E.

, “Full valence complete active space SCF, multireference CI, and density functional calculations of ¹A₁−³B₁ singlet-triplet gaps for the valence-isoelectronic series BH₂⁻, CH₂, NH₂⁺, AlH₂⁻, SiH₂, PH₂⁺, GaH₂⁻, GeH₂, and AsH₂⁺”, Chem. Phys. Lett. 218, 387 (1994). doi: 10.1016/0009-2614(94)00030-1

102.

Marquez

Mari

and Gonzalez

C.A.

, “Ab initio study of the reactions between a series of substituted singlet nitrenium ions and water”, J. Phys. Chem. A 103, 6191 (1999). doi: 10.1021/jp983189y

103.

and Chesnavich

W.G.

, “Parametrization of the ion-polar molecule collision rate constants by trajectory calculations”, J. Chem. Phys. 76, 5183 (1982). doi: 10.1063/1.442828

104.

Lide

R.D.

(Ed), CRC Handbook of Chemistry and Physics (73rd Edn), CRC Press, Boca Raton, Florida, USA (1992).